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

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