Pages with the fewest revisions

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  1. CamCASP/ToDo/Memory‏‎ (1 revision)
  2. Running programs in the background‏‎ (1 revision)
  3. Backup strategy‏‎ (1 revision)
  4. CamCASP/Notes/6‏‎ (1 revision)
  5. CamCASP/Notes/5‏‎ (1 revision)
  6. Bug hunting tips for group code‏‎ (1 revision)
  7. CamCASP/Bugs/1‏‎ (1 revision)
  8. Installing python modules‏‎ (1 revision)
  9. Finding bugs in latex documents that will not compile‏‎ (1 revision)
  10. Using Molfacture to edit molecules and add hydrogens‏‎ (1 revision)
  11. Producing a PDB from a coordinates and topology file‏‎ (1 revision)
  12. CamCASP/CodeExamples/DirectAccess‏‎ (1 revision)
  13. Torque and Maui‏‎ (1 revision)
  14. CamCASP/Programming/5/example1‏‎ (1 revision)
  15. Runtime diagnostics with ifort‏‎ (1 revision)
  16. CamCASP/Programming/8‏‎ (1 revision)
  17. Symmetry‏‎ (1 revision)
  18. GraphTypes‏‎ (1 revision)
  19. Path.info file is not read, causes PATHSAMPLE to die‏‎ (1 revision)
  20. CPMDInput‏‎ (1 revision)
  21. If things go wrong...‏‎ (1 revision)
  22. CamCASP/Bugs/2‏‎ (1 revision)
  23. Chris's 'all you can eat' tips‏‎ (1 revision)
  24. Programming‏‎ (1 revision)
  25. REX (Replica EXchange MD) with the MMTSB-toolset‏‎ (1 revision)
  26. CamCASP/Notes/8‏‎ (1 revision)
  27. Running a G\=o model with the AMHGMIN‏‎ (1 revision)
  28. Perm-pdb.py‏‎ (2 revisions)
  29. CamCASP/Bugs/9/pyr2-double-Hbonded.clt‏‎ (2 revisions)
  30. Mounting sharedscratch locally‏‎ (2 revisions)
  31. Useful .vmdrc file‏‎ (2 revisions)
  32. Organizing papers with tellico‏‎ (2 revisions)
  33. Using tar and gzip to compress/uncompress files‏‎ (2 revisions)
  34. Submitting jobs, interactively or to a cluster queue system‏‎ (2 revisions)
  35. Quick guide to awk‏‎ (2 revisions)
  36. CamCasp‏‎ (2 revisions)
  37. Plotting data in real time‏‎ (2 revisions)
  38. Rama upgrade‏‎ (2 revisions)
  39. Fixing thunderbird links‏‎ (2 revisions)
  40. Maui compilation‏‎ (2 revisions)
  41. To Do‏‎ (2 revisions)
  42. Calculating rate constants (SGT, DGT, and SDGT)‏‎ (2 revisions)
  43. Group wish list‏‎ (2 revisions)
  44. Pgi64/8.0/1‏‎ (2 revisions)
  45. CamCASP/Bugs/3‏‎ (2 revisions)
  46. CamCASP/Bugs/5‏‎ (2 revisions)
  47. CamCASP/Programming/9‏‎ (2 revisions)
  48. Differences from Clust‏‎ (2 revisions)
  49. Anthony & Alston‏‎ (2 revisions)
  50. Xfig‏‎ (2 revisions)
  51. Gnuplot‏‎ (2 revisions)
  52. CamCASP/Notes/1‏‎ (2 revisions)
  53. Zippo Sicortex machine‏‎ (3 revisions)
  54. Using VMD to display and manipulate '.pdb' files‏‎ (3 revisions)
  55. CamCASP/Bugs/4‏‎ (3 revisions)
  56. Using 'ssh-keygen' to automatically log you into clusters from your workstation‏‎ (3 revisions)
  57. Generating parameters using AMBER's built in General Forcefield (gaff)‏‎ (3 revisions)
  58. Generating parameters using RESP charges from GAMESS-US‏‎ (3 revisions)
  59. Recommended bash aliases‏‎ (3 revisions)
  60. CHARMM‏‎ (3 revisions)
  61. Assets‏‎ (3 revisions)
  62. Upgrading destiny‏‎ (3 revisions)
  63. If things go wrong... (perish the thought!)‏‎ (3 revisions)
  64. EffectiveSupercell‏‎ (3 revisions)
  65. Progress‏‎ (3 revisions)
  66. Selecting search parameters for GMIN‏‎ (3 revisions)
  67. Aux2bib‏‎ (3 revisions)
  68. CamCASP/Bugs/6‏‎ (3 revisions)
  69. CamCASP/ToDo/diskIO‏‎ (3 revisions)
  70. Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM)‏‎ (3 revisions)
  71. LDAP plans‏‎ (4 revisions)
  72. Xmakemol‏‎ (4 revisions)
  73. Adding example input for Wales group programs‏‎ (4 revisions)
  74. Short 'awk' examples‏‎ (4 revisions)
  75. Identifying job on a node‏‎ (4 revisions)
  76. LinuxTips‏‎ (4 revisions)
  77. Global optimization of biomolecules using AMBER9 with Structural Restraints‏‎ (4 revisions)
  78. Dalton‏‎ (4 revisions)
  79. Adding partially finished OPTIM stationary points to a PATHSAMPLE database‏‎ (4 revisions)
  80. See unpacked nodes‏‎ (4 revisions)
  81. NECI‏‎ (5 revisions)
  82. Short 'sed' examples‏‎ (5 revisions)
  83. If you lost file min.data, but still you have points.min‏‎ (5 revisions)
  84. The effect of calculating less than the maximum number of eigenvalues using ENDHESS n‏‎ (5 revisions)
  85. General queueing problems‏‎ (5 revisions)
  86. GroupPages‏‎ (5 revisions)
  87. CamCASP/BasisSets‏‎ (5 revisions)
  88. SuSE 11.1‏‎ (5 revisions)
  89. Wales Group Fortran conventions for group software‏‎ (5 revisions)
  90. CPMD‏‎ (5 revisions)
  91. Chris Whittleston‏‎ (5 revisions)
  92. Removing an excessive number of files from a directory - when 'rm' just isn't enough‏‎ (5 revisions)
  93. Intel Trace Analyzer and Collector‏‎ (5 revisions)
  94. AlaviGroup‏‎ (6 revisions)
  95. Transfering files to and from your workstation‏‎ (6 revisions)
  96. Loading coordinate files into VMD with the help of an AMBER topology file‏‎ (6 revisions)
  97. Restarting a GMIN run from a dump file‏‎ (6 revisions)
  98. Conversion between different image file formats‏‎ (6 revisions)
  99. CamCASP/Notes/3‏‎ (6 revisions)
  100. Xmgrace‏‎ (6 revisions)
  101. 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)
  102. Remastering Knoppix‏‎ (6 revisions)
  103. CamCASP/Bugs/7‏‎ (6 revisions)
  104. Mek-quake initial setup notes‏‎ (7 revisions)
  105. Wales group calendars‏‎ (7 revisions)
  106. OPTIM output files‏‎ (7 revisions)
  107. Adding a model to GMIN‏‎ (7 revisions)
  108. CamCASP/Programming/3‏‎ (7 revisions)
  109. CamCASP/Programming/6‏‎ (7 revisions)
  110. Setting up aliases to quickly log you in to a different machine‏‎ (7 revisions)
  111. CamCASP/Releases‏‎ (7 revisions)
  112. NECI Parallelization‏‎ (7 revisions)
  113. ParallelCode‏‎ (7 revisions)
  114. Known Bugs‏‎ (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. Pdb to movie.py‏‎ (9 revisions)
  125. BookList‏‎ (9 revisions)
  126. Creating movies (.mpg) of paths using OPTIM‏‎ (9 revisions)
  127. Visitor policy‏‎ (9 revisions)
  128. Adding a model for PATHSAMPLE‏‎ (9 revisions)
  129. Relaxing existing transition states with new potential and creating new database‏‎ (10 revisions)
  130. CamCASP/PFIT‏‎ (10 revisions)
  131. Latex2html‏‎ (10 revisions)
  132. CamCASP/Programming/5‏‎ (10 revisions)
  133. OPTIM output files (some of the them at least)‏‎ (10 revisions)
  134. Removing minima and transition states from the database‏‎ (10 revisions)
  135. Preparing an AMBER topology file for a protein system‏‎ (10 revisions)
  136. Coulomb Integral‏‎ (10 revisions)
  137. Doxygen‏‎ (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. Adding a model to OPTIM‏‎ (12 revisions)
  146. CamCASP/Programming/4‏‎ (12 revisions)
  147. CamCASP/Notes/2‏‎ (12 revisions)
  148. OS X and Linux tips‏‎ (12 revisions)
  149. Useful PBS scripts‏‎ (12 revisions)
  150. Proposed changes to backup and archiving‏‎ (12 revisions)
  151. David's .inputrc file‏‎ (12 revisions)
  152. Colourdiscon.py‏‎ (12 revisions)
  153. Environment modules‏‎ (12 revisions)
  154. Git‏‎ (13 revisions)
  155. SuSE 10.2 workstation image‏‎ (13 revisions)
  156. OPTIM‏‎ (13 revisions)
  157. CamCASP/Notes‏‎ (13 revisions)
  158. Other useful scripts‏‎ (13 revisions)
  159. James Spencer‏‎ (13 revisions)
  160. Compiling AMBER Tools so you can start making input and analyzing output‏‎ (13 revisions)
  161. Mek-quake Queueing system‏‎ (13 revisions)
  162. Global optimization of biomolecules using AMBER9‏‎ (14 revisions)
  163. CamCASP/Programming‏‎ (14 revisions)
  164. Makerestart‏‎ (14 revisions)
  165. Using the implicit membrane model IMM1‏‎ (14 revisions)
  166. CamCASP/Interfaces‏‎ (14 revisions)
  167. DisconnectionDPS‏‎ (15 revisions)
  168. Printing files from the command line using 'lpr'‏‎ (15 revisions)
  169. Running GMIN with MD move steps AMBER‏‎ (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. CamCASP‏‎ (18 revisions)
  176. Upgrading sword‏‎ (18 revisions)
  177. Path2pdb.py‏‎ (18 revisions)
  178. GMIN‏‎ (18 revisions)
  179. PATHSAMPLE‏‎ (18 revisions)
  180. Revamping the modules system‏‎ (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. CamCASP/Bugs‏‎ (20 revisions)
  185. IT Equipment wishlist‏‎ (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. Git-NECI‏‎ (23 revisions)
  192. REMD with AMBER‏‎ (23 revisions)
  193. SVN setup‏‎ (23 revisions)
  194. CamCASP/Programming/1‏‎ (23 revisions)
  195. Basic linux commands everyone should know!‏‎ (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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