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  1. Upgrading destiny‏‎ (15:42, 27 April 2006)
  2. Remastering Knoppix‏‎ (17:34, 16 May 2006)
  3. Backup strategy‏‎ (16:21, 19 May 2006)
  4. Maui compilation‏‎ (17:23, 7 June 2006)
  5. Differences from Clust‏‎ (08:11, 15 June 2006)
  6. New mek-quake‏‎ (16:53, 21 June 2006)
  7. Mek-quake initial setup notes‏‎ (08:27, 27 June 2006)
  8. Proposed changes to backup and archiving‏‎ (12:03, 29 June 2006)
  9. Assets‏‎ (08:53, 26 October 2006)
  10. Mek-quake Queueing system‏‎ (15:35, 3 November 2006)
  11. ElaborateDiff‏‎ (18:12, 5 December 2006)
  12. Upgrading sword‏‎ (18:13, 5 December 2006)
  13. CPMDInput‏‎ (15:17, 14 December 2006)
  14. GraphTypes‏‎ (15:40, 9 January 2007)
  15. Coulomb Integral‏‎ (19:20, 17 January 2007)
  16. Symmetry‏‎ (18:49, 23 January 2007)
  17. CPMD‏‎ (13:03, 31 January 2007)
  18. EffectiveSupercell‏‎ (12:41, 5 February 2007)
  19. Dalton‏‎ (17:41, 5 February 2007)
  20. SuSE 10.1 workstation image‏‎ (13:22, 6 February 2007)
  21. Computer Office services‏‎ (16:34, 19 April 2007)
  22. Rama upgrade‏‎ (16:56, 19 April 2007)
  23. Visitor policy‏‎ (10:18, 17 May 2007)
  24. LDAP plans‏‎ (10:52, 30 August 2007)
  25. SuSE 10.2 workstation image‏‎ (20:21, 7 September 2007)
  26. Other IT stuff‏‎ (16:05, 17 October 2007)
  27. AlaviGroup‏‎ (20:02, 18 February 2008)
  28. Organizing papers with tellico‏‎ (12:26, 21 February 2008)
  29. NECI Re-write‏‎ (19:04, 25 February 2008)
  30. Revamping the modules system‏‎ (16:05, 28 February 2008)
  31. General queueing problems‏‎ (14:04, 12 March 2008)
  32. Torque and Maui‏‎ (11:55, 19 March 2008)
  33. Useful PBS scripts‏‎ (13:40, 19 March 2008)
  34. REX (Replica EXchange MD) with the MMTSB-toolset‏‎ (11:47, 29 April 2008)
  35. CHARMM‏‎ (11:16, 30 April 2008)
  36. Extractedmin2pdb.py‏‎ (16:31, 30 April 2008)
  37. Printing files from the command line using 'lpr'‏‎ (20:52, 30 April 2008)
  38. Short 'awk' examples‏‎ (23:43, 30 April 2008)
  39. Short 'sed' examples‏‎ (23:44, 30 April 2008)
  40. Wales Group Fortran conventions for group software‏‎ (07:57, 1 May 2008)
  41. Wales Group Conventions when using LaTex‏‎ (07:59, 1 May 2008)
  42. Basic linux commands everyone should know!‏‎ (08:04, 1 May 2008)
  43. Conversion between different image file formats‏‎ (18:23, 1 May 2008)
  44. ParallelCode‏‎ (18:18, 2 May 2008)
  45. Minimizing a structure using OPTIM and AMBER9‏‎ (13:51, 6 May 2008)
  46. Using Molfacture to edit molecules and add hydrogens‏‎ (17:09, 12 May 2008)
  47. Generating parameters using AMBER's built in General Forcefield (gaff)‏‎ (19:47, 12 May 2008)
  48. Perm-pdb.py‏‎ (15:25, 13 May 2008)
  49. Preparing an AMBER topology file for a protein plus ligand system‏‎ (18:58, 13 May 2008)
  50. Makerestart‏‎ (16:14, 14 May 2008)
  51. Simple scripts for LEaP to create topology and coordinate files‏‎ (15:05, 16 May 2008)
  52. Producing a PDB from a coordinates and topology file‏‎ (16:20, 20 May 2008)
  53. Using tar and gzip to compress/uncompress files‏‎ (13:31, 13 June 2008)
  54. NECI Parallelization‏‎ (14:25, 18 June 2008)
  55. Intel Trace Analyzer and Collector‏‎ (17:25, 25 June 2008)
  56. Path2xyz.py‏‎ (17:20, 30 June 2008)
  57. Using 'ssh-keygen' to automatically log you into clusters from your workstation‏‎ (17:27, 30 June 2008)
  58. Path2pdb.py‏‎ (20:01, 1 July 2008)
  59. Fixing thunderbird links‏‎ (08:38, 3 July 2008)
  60. James Spencer‏‎ (00:06, 6 July 2008)
  61. David's .inputrc file‏‎ (14:32, 6 July 2008)
  62. Adding a model to GMIN‏‎ (00:24, 8 July 2008)
  63. Transfering files to and from your workstation‏‎ (01:25, 8 July 2008)
  64. Adding a model for PATHSAMPLE‏‎ (00:59, 11 July 2008)
  65. Environment modules‏‎ (01:44, 12 July 2008)
  66. Compiling GMIN with CHARMM‏‎ (11:24, 14 July 2008)
  67. Identifying job on a node‏‎ (08:40, 15 July 2008)
  68. Chris Whittleston‏‎ (16:08, 17 July 2008)
  69. Latex2html‏‎ (17:16, 21 July 2008)
  70. Lapack compilation‏‎ (20:52, 25 July 2008)
  71. LinuxTips‏‎ (13:51, 27 July 2008)
  72. Removing an excessive number of files from a directory - when 'rm' just isn't enough‏‎ (13:01, 30 July 2008)
  73. Quick guide to awk‏‎ (16:44, 30 July 2008)
  74. SuSE 10.3 workstation image‏‎ (14:30, 31 July 2008)
  75. OS X and Linux tips‏‎ (22:23, 31 July 2008)
  76. Installing python modules‏‎ (23:54, 31 July 2008)
  77. Xmakemol‏‎ (21:56, 1 August 2008)
  78. OPTIM output files (some of the them at least)‏‎ (22:21, 1 August 2008)
  79. Calculating rate constants (GT and fastest path)‏‎ (16:48, 2 August 2008)
  80. Xfig‏‎ (23:28, 4 August 2008)
  81. If things go wrong...‏‎ (20:58, 8 August 2008)
  82. If things go wrong... (perish the thought!)‏‎ (21:11, 8 August 2008)
  83. Git‏‎ (16:10, 9 August 2008)
  84. Gnuplot‏‎ (11:08, 14 August 2008)
  85. Plotting data in real time‏‎ (11:12, 14 August 2008)
  86. Pymol‏‎ (06:39, 16 August 2008)
  87. Advanced colouring‏‎ (10:47, 21 August 2008)
  88. Loading coordinate files into VMD with the help of an AMBER topology file‏‎ (11:18, 21 August 2008)
  89. Using VMD to display and manipulate '.pdb' files‏‎ (12:01, 21 August 2008)
  90. Generating parameters using RESP charges from GAMESS-US‏‎ (13:01, 21 August 2008)
  91. IT Equipment wishlist‏‎ (15:10, 27 August 2008)
  92. Aux2bib‏‎ (08:18, 28 August 2008)
  93. If you lost file min.data, but still you have points.min‏‎ (19:22, 2 September 2008)
  94. Tardis scheduling policy‏‎ (18:02, 11 September 2008)
  95. DisconnectionDPS‏‎ (15:16, 26 September 2008)
  96. Restarting a GMIN run from a dump file‏‎ (13:13, 1 October 2008)
  97. Using BHINTERP to find minima between two end points‏‎ (16:55, 1 October 2008)
  98. Finding an initial path between two end points (minima)‏‎ (16:56, 1 October 2008)
  99. Chris's 'all you can eat' tips‏‎ (14:16, 3 October 2008)
  100. Useful Python Scripts‏‎ (14:11, 7 October 2008)
  101. Conversion between different data file formats‏‎ (17:24, 7 October 2008)
  102. Fortran issues‏‎ (09:44, 13 October 2008)
  103. Global optimization of biomolecules using AMBER9 with Structural Restraints‏‎ (13:31, 16 October 2008)
  104. GroupPages‏‎ (11:54, 17 October 2008)
  105. Anthony & Alston‏‎ (11:55, 17 October 2008)
  106. To Do‏‎ (16:32, 19 October 2008)
  107. CamCASP/Bugs/1‏‎ (14:21, 20 October 2008)
  108. CamCASP/Bugs/2‏‎ (14:23, 20 October 2008)
  109. CamCasp‏‎ (14:45, 20 October 2008)
  110. CamCASP/Notes/1‏‎ (16:41, 20 October 2008)
  111. REMD with AMBER‏‎ (13:48, 24 October 2008)
  112. Piping and redirecting output from one command or file to another‏‎ (12:23, 29 October 2008)
  113. Programming‏‎ (16:29, 3 November 2008)
  114. CamCASP/Bugs/3‏‎ (15:32, 4 November 2008)
  115. BookList‏‎ (20:30, 6 November 2008)
  116. CamCASP/ToDo/Memory‏‎ (11:57, 12 November 2008)
  117. CamCASP/ToDo/diskIO‏‎ (14:06, 12 November 2008)
  118. List of output files for PATHSAMPLE‏‎ (22:41, 17 November 2008)
  119. Calculating rate constants (SGT, DGT, and SDGT)‏‎ (23:59, 17 November 2008)
  120. CamCASP/Notes/3‏‎ (11:45, 25 November 2008)
  121. CamCASP/Notes/5‏‎ (12:02, 25 November 2008)
  122. CamCASP/Notes/6‏‎ (14:38, 2 December 2008)
  123. Progress‏‎ (16:20, 15 December 2008)
  124. Removing minima and transition states from the database‏‎ (23:40, 16 December 2008)
  125. Group wish list‏‎ (13:48, 7 January 2009)
  126. Pgi64/8.0/1‏‎ (21:20, 17 January 2009)
  127. GPU processing‏‎ (11:22, 19 January 2009)
  128. Relaxing existing minima with new potential and creating new database‏‎ (03:42, 27 January 2009)
  129. Relaxing existing transition states with new potential and creating new database‏‎ (04:21, 27 January 2009)
  130. SuSE 11.1‏‎ (18:11, 2 February 2009)
  131. Xmgrace‏‎ (02:12, 15 February 2009)
  132. CamCASP/Bugs/4‏‎ (15:21, 16 February 2009)
  133. Zippo Sicortex machine‏‎ (14:08, 27 February 2009)
  134. Recommended bash aliases‏‎ (23:29, 28 February 2009)
  135. CamCASP/Notes/7‏‎ (20:26, 17 March 2009)
  136. Catherine Pitt‏‎ (19:19, 18 March 2009)
  137. VMD‏‎ (16:15, 2 April 2009)
  138. Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM)‏‎ (16:18, 2 April 2009)
  139. Adding example input for Wales group programs‏‎ (20:28, 2 April 2009)
  140. Finding bugs in latex documents that will not compile‏‎ (12:37, 3 April 2009)
  141. Visualising normal modes using VMD and OPTIM‏‎ (20:28, 7 April 2009)
  142. CamCASP/Notes/4‏‎ (17:33, 8 April 2009)
  143. Colourdiscon.py‏‎ (20:12, 8 May 2009)
  144. Pdb to movie.py‏‎ (20:48, 8 May 2009)
  145. CamCASP/Programming/4‏‎ (14:21, 11 May 2009)
  146. CamCASP/Programming/5/example1‏‎ (16:58, 12 May 2009)
  147. CamCASP/Bugs/6‏‎ (17:05, 13 May 2009)
  148. Known Bugs‏‎ (17:17, 13 May 2009)
  149. CamCASP/Programming/3‏‎ (18:08, 18 June 2009)
  150. OPTIM output files‏‎ (14:03, 6 July 2009)
  151. Adding partially finished OPTIM stationary points to a PATHSAMPLE database‏‎ (14:47, 9 July 2009)
  152. Using the implicit membrane model IMM1‏‎ (14:12, 22 July 2009)
  153. Adding a model to OPTIM‏‎ (19:26, 26 July 2009)
  154. Running a G\=o model with the AMHGMIN‏‎ (19:39, 26 July 2009)
  155. GMIN‏‎ (19:40, 26 July 2009)
  156. Debugging odd transition states in OPTIM‏‎ (15:00, 28 July 2009)
  157. Wales Group Version control‏‎ (17:53, 28 July 2009)
  158. Running a Go model with the AMHGMIN‏‎ (12:16, 31 July 2009)
  159. Preparing an AMBER topology file for a protein system‏‎ (13:47, 31 July 2009)
  160. Bug hunting tips for group code‏‎ (11:33, 2 August 2009)
  161. Selecting search parameters for GMIN‏‎ (17:27, 3 August 2009)
  162. Compiling AMBER Tools so you can start making input and analyzing output‏‎ (10:28, 6 August 2009)
  163. Converting between '.crd' and '.pdb'‏‎ (17:04, 19 August 2009)
  164. If you need to change the number of atoms (e.g. making a united-atom charmm19 .crd file, or if atoms are missing)‏‎ (17:40, 19 August 2009)
  165. Perm-prmtop.py‏‎ (09:19, 20 August 2009)
  166. CamCASP/Programming/2‏‎ (14:17, 1 September 2009)
  167. Creating movies (.mpg) of paths using OPTIM‏‎ (11:10, 3 September 2009)
  168. Wales group calendars‏‎ (12:21, 7 September 2009)
  169. Running GMIN with MD move steps AMBER‏‎ (16:37, 16 September 2009)
  170. Submitting jobs, interactively or to a cluster queue system‏‎ (16:25, 22 September 2009)
  171. Setting up aliases to quickly log you in to a different machine‏‎ (16:27, 22 September 2009)
  172. See unpacked nodes‏‎ (16:28, 22 September 2009)
  173. Running programs in the background‏‎ (16:31, 22 September 2009)
  174. Global optimization of biomolecules using AMBER9‏‎ (16:43, 22 September 2009)
  175. Other useful scripts‏‎ (14:38, 1 October 2009)
  176. AMBER‏‎ (17:05, 3 October 2009)
  177. Evaluating different components of AMBER energy function with SANDER‏‎ (18:01, 3 October 2009)
  178. NECI‏‎ (12:49, 12 October 2009)
  179. PATHSAMPLE‏‎ (19:16, 13 October 2009)
  180. Path.info file is not read, causes PATHSAMPLE to die‏‎ (19:28, 13 October 2009)
  181. Mounting sharedscratch locally‏‎ (16:15, 16 October 2009)
  182. Doxygen‏‎ (04:54, 19 October 2009)
  183. Git-NECI‏‎ (14:08, 20 October 2009)
  184. Useful .vmdrc file‏‎ (03:49, 30 November 2009)
  185. OPTIM‏‎ (14:15, 2 December 2009)
  186. The effect of calculating less than the maximum number of eigenvalues using ENDHESS n‏‎ (14:19, 2 December 2009)
  187. CamCASP/Programming/5‏‎ (10:53, 25 March 2010)
  188. Runtime diagnostics with ifort‏‎ (02:20, 30 March 2010)
  189. CamCASP/Bugs/5‏‎ (09:52, 19 April 2010)
  190. CamCASP/Programming/6‏‎ (18:00, 20 April 2010)
  191. CamCASP/Programming/8‏‎ (11:30, 23 April 2010)
  192. Optimising a path‏‎ (21:13, 12 May 2010)
  193. CamCASP/CodeExamples/DirectAccess‏‎ (12:10, 14 May 2010)
  194. Producing sexy ray-traced images‏‎ (06:13, 20 May 2010)
  195. CamCASP/Notes‏‎ (19:12, 31 May 2010)
  196. CamCASP/Notes/8‏‎ (19:24, 31 May 2010)
  197. Useful Makefiles‏‎ (10:53, 9 July 2010)
  198. CamCASP/Programming‏‎ (11:11, 9 July 2010)
  199. CamCASP/Programming/9‏‎ (11:38, 9 July 2010)
  200. CamCASP/ToDo‏‎ (15:27, 12 July 2010)
  201. NECI-testcode‏‎ (16:11, 14 July 2010)
  202. Wales Group‏‎ (00:28, 21 July 2010)
  203. CamCASP/PFIT‏‎ (12:13, 23 September 2010)
  204. CamCASP/Numerical‏‎ (11:41, 10 November 2010)
  205. CamCASP/Releases‏‎ (17:41, 23 February 2011)
  206. SVN setup‏‎ (13:22, 11 May 2011)
  207. CamCASP/Bugs/7‏‎ (14:48, 30 June 2011)
  208. CamCASP/Bugs‏‎ (18:10, 14 November 2011)
  209. CamCASP/Bugs/9/pyr2-double-Hbonded.clt‏‎ (18:59, 14 November 2011)
  210. CamCASP/Compilation‏‎ (15:05, 17 November 2011)
  211. CamCASP/Bugs/9‏‎ (17:41, 17 November 2011)
  212. CamCASP/Bugs/8‏‎ (11:25, 21 November 2011)
  213. CamCASP‏‎ (12:14, 1 December 2011)
  214. CamCASP/Programming/0‏‎ (16:20, 8 December 2011)
  215. CamCASP/Programming/1‏‎ (17:40, 8 December 2011)
  216. CamCASP/BasisSets‏‎ (17:55, 8 December 2011)
  217. CamCASP/Interfaces‏‎ (18:54, 8 December 2011)
  218. CamCASP/Notes/2‏‎ (15:48, 21 May 2012)
  219. CamCASP/Programming/7‏‎ (18:37, 23 October 2013)
  220. Electronic Structure Group Meetings‏‎ (18:33, 24 February 2014)
  221. File server options‏‎ (11:09, 4 June 2014)
  222. SVN Page‏‎ (11:12, 4 June 2014)
  223. Main Page‏‎ (11:33, 17 November 2015)

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