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

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