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  1. (hist) ‎LinuxTips ‎[0 bytes]
  2. (hist) ‎If things go wrong... (perish the thought!) ‎[0 bytes]
  3. (hist) ‎Anthony & Alston ‎[14 bytes]
  4. (hist) ‎Chris's 'all you can eat' tips ‎[17 bytes]
  5. (hist) ‎Programming ‎[18 bytes]
  6. (hist) ‎NECI ‎[65 bytes]
  7. (hist) ‎Running programs in the background ‎[77 bytes]
  8. (hist) ‎CamCASP/Notes/6 ‎[82 bytes]
  9. (hist) ‎File server options ‎[86 bytes]
  10. (hist) ‎Using tar and gzip to compress/uncompress files ‎[162 bytes]
  11. (hist) ‎CamCasp ‎[180 bytes]
  12. (hist) ‎Using Molfacture to edit molecules and add hydrogens ‎[185 bytes]
  13. (hist) ‎New mek-quake ‎[195 bytes]
  14. (hist) ‎GroupPages ‎[209 bytes]
  15. (hist) ‎To Do ‎[221 bytes]
  16. (hist) ‎Wales Group ‎[228 bytes]
  17. (hist) ‎SuSE 11.1 ‎[230 bytes]
  18. (hist) ‎Differences from Clust ‎[265 bytes]
  19. (hist) ‎Computer Office services ‎[288 bytes]
  20. (hist) ‎Chris Whittleston ‎[310 bytes]
  21. (hist) ‎See unpacked nodes ‎[313 bytes]
  22. (hist) ‎Perm-pdb.py ‎[325 bytes]
  23. (hist) ‎AlaviGroup ‎[345 bytes]
  24. (hist) ‎CamCASP/Notes/5 ‎[390 bytes]
  25. (hist) ‎Other IT stuff ‎[392 bytes]
  26. (hist) ‎Generating parameters using AMBER's built in General Forcefield (gaff) ‎[396 bytes]
  27. (hist) ‎Finding bugs in latex documents that will not compile ‎[436 bytes]
  28. (hist) ‎Producing a PDB from a coordinates and topology file ‎[442 bytes]
  29. (hist) ‎CamCASP/Notes ‎[453 bytes]
  30. (hist) ‎Fixing thunderbird links ‎[464 bytes]
  31. (hist) ‎Calculating rate constants (SGT, DGT, and SDGT) ‎[485 bytes]
  32. (hist) ‎Path.info file is not read, causes PATHSAMPLE to die ‎[520 bytes]
  33. (hist) ‎If things go wrong... ‎[522 bytes]
  34. (hist) ‎CamCASP/Programming ‎[533 bytes]
  35. (hist) ‎David's .inputrc file ‎[587 bytes]
  36. (hist) ‎Gnuplot ‎[605 bytes]
  37. (hist) ‎Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM) ‎[616 bytes]
  38. (hist) ‎CamCASP/ToDo/Memory ‎[633 bytes]
  39. (hist) ‎Xmakemol ‎[638 bytes]
  40. (hist) ‎CamCASP/Bugs/4 ‎[639 bytes]
  41. (hist) ‎Useful .vmdrc file ‎[658 bytes]
  42. (hist) ‎OPTIM ‎[673 bytes]
  43. (hist) ‎If you lost file min.data, but still you have points.min ‎[673 bytes]
  44. (hist) ‎Plotting data in real time ‎[675 bytes]
  45. (hist) ‎CamCASP/Bugs ‎[675 bytes]
  46. (hist) ‎Maui compilation ‎[698 bytes]
  47. (hist) ‎OPTIM output files (some of the them at least) ‎[698 bytes]
  48. (hist) ‎Xmgrace ‎[710 bytes]
  49. (hist) ‎CamCASP/Bugs/5 ‎[731 bytes]
  50. (hist) ‎Adding partially finished OPTIM stationary points to a PATHSAMPLE database ‎[740 bytes]
  51. (hist) ‎CPMD ‎[756 bytes]
  52. (hist) ‎Adding a model for PATHSAMPLE ‎[816 bytes]
  53. (hist) ‎Doxygen ‎[819 bytes]
  54. (hist) ‎LDAP plans ‎[825 bytes]
  55. (hist) ‎Zippo Sicortex machine ‎[831 bytes]
  56. (hist) ‎Using 'ssh-keygen' to automatically log you into clusters from your workstation ‎[857 bytes]
  57. (hist) ‎Bug hunting tips for group code ‎[870 bytes]
  58. (hist) ‎OPTIM output files ‎[879 bytes]
  59. (hist) ‎The effect of calculating less than the maximum number of eigenvalues using ENDHESS n ‎[882 bytes]
  60. (hist) ‎Adding a model to GMIN ‎[889 bytes]
  61. (hist) ‎Torque and Maui ‎[891 bytes]
  62. (hist) ‎Upgrading destiny ‎[898 bytes]
  63. (hist) ‎Group wish list ‎[903 bytes]
  64. (hist) ‎Piping and redirecting output from one command or file to another ‎[950 bytes]
  65. (hist) ‎GMIN ‎[956 bytes]
  66. (hist) ‎CamCASP/Bugs/2 ‎[974 bytes]
  67. (hist) ‎ParallelCode ‎[988 bytes]
  68. (hist) ‎Colourdiscon.py ‎[996 bytes]
  69. (hist) ‎REX (Replica EXchange MD) with the MMTSB-toolset ‎[1,047 bytes]
  70. (hist) ‎Mek-quake initial setup notes ‎[1,052 bytes]
  71. (hist) ‎Conversion between different data file formats ‎[1,056 bytes]
  72. (hist) ‎Mounting sharedscratch locally ‎[1,094 bytes]
  73. (hist) ‎Minimizing a structure using OPTIM and AMBER9 ‎[1,106 bytes]
  74. (hist) ‎CamCASP/Bugs/1 ‎[1,114 bytes]
  75. (hist) ‎Recommended bash aliases ‎[1,116 bytes]
  76. (hist) ‎Rama upgrade ‎[1,135 bytes]
  77. (hist) ‎CamCASP/Programming/5/example1 ‎[1,138 bytes]
  78. (hist) ‎CamCASP/Programming/8 ‎[1,156 bytes]
  79. (hist) ‎Conversion between different image file formats ‎[1,157 bytes]
  80. (hist) ‎Identifying job on a node ‎[1,164 bytes]
  81. (hist) ‎PATHSAMPLE ‎[1,201 bytes]
  82. (hist) ‎Wales Group Fortran conventions for group software ‎[1,208 bytes]
  83. (hist) ‎Selecting search parameters for GMIN ‎[1,219 bytes]
  84. (hist) ‎Removing an excessive number of files from a directory - when 'rm' just isn't enough ‎[1,222 bytes]
  85. (hist) ‎Intel Trace Analyzer and Collector ‎[1,225 bytes]
  86. (hist) ‎Adding a model to OPTIM ‎[1,252 bytes]
  87. (hist) ‎CamCASP ‎[1,284 bytes]
  88. (hist) ‎Evaluating different components of AMBER energy function with SANDER ‎[1,300 bytes]
  89. (hist) ‎Organizing papers with tellico ‎[1,325 bytes]
  90. (hist) ‎Transfering files to and from your workstation ‎[1,341 bytes]
  91. (hist) ‎CHARMM ‎[1,342 bytes]
  92. (hist) ‎CamCASP/Programming/3 ‎[1,358 bytes]
  93. (hist) ‎Setting up aliases to quickly log you in to a different machine ‎[1,419 bytes]
  94. (hist) ‎Symmetry ‎[1,435 bytes]
  95. (hist) ‎Upgrading sword ‎[1,451 bytes]
  96. (hist) ‎CamCASP/Bugs/3 ‎[1,589 bytes]
  97. (hist) ‎Global optimization of biomolecules using AMBER9 with Structural Restraints ‎[1,596 bytes]
  98. (hist) ‎Pymol ‎[1,613 bytes]
  99. (hist) ‎Aux2bib ‎[1,627 bytes]
  100. (hist) ‎IT Equipment wishlist ‎[1,636 bytes]
  101. (hist) ‎CamCASP/Notes/8 ‎[1,651 bytes]
  102. (hist) ‎Pdb to movie.py ‎[1,658 bytes]
  103. (hist) ‎Wales group calendars ‎[1,679 bytes]
  104. (hist) ‎Wales Group Conventions when using LaTex ‎[1,743 bytes]
  105. (hist) ‎VMD ‎[1,768 bytes]
  106. (hist) ‎Submitting jobs, interactively or to a cluster queue system ‎[1,793 bytes]
  107. (hist) ‎Main Page ‎[1,826 bytes]
  108. (hist) ‎AMBER ‎[1,839 bytes]
  109. (hist) ‎OS X and Linux tips ‎[1,864 bytes]
  110. (hist) ‎CamCASP/BasisSets ‎[1,955 bytes]
  111. (hist) ‎Removing minima and transition states from the database ‎[1,964 bytes]
  112. (hist) ‎Debugging odd transition states in OPTIM ‎[2,081 bytes]
  113. (hist) ‎Printing files from the command line using 'lpr' ‎[2,086 bytes]
  114. (hist) ‎EffectiveSupercell ‎[2,117 bytes]
  115. (hist) ‎Xfig ‎[2,147 bytes]
  116. (hist) ‎Known Bugs ‎[2,163 bytes]
  117. (hist) ‎CamCASP/Bugs/7 ‎[2,217 bytes]
  118. (hist) ‎CamCASP/Bugs/9/pyr2-double-Hbonded.clt ‎[2,263 bytes]
  119. (hist) ‎Finding an initial path between two end points (minima) ‎[2,352 bytes]
  120. (hist) ‎SuSE 10.2 workstation image ‎[2,396 bytes]
  121. (hist) ‎CamCASP/Programming/5 ‎[2,409 bytes]
  122. (hist) ‎Converting between '.crd' and '.pdb' ‎[2,443 bytes]
  123. (hist) ‎Assets ‎[2,448 bytes]
  124. (hist) ‎CamCASP/CodeExamples/DirectAccess ‎[2,455 bytes]
  125. (hist) ‎Loading coordinate files into VMD with the help of an AMBER topology file ‎[2,474 bytes]
  126. (hist) ‎CamCASP/Releases ‎[2,478 bytes]
  127. (hist) ‎Pgi64/8.0/1 ‎[2,482 bytes]
  128. (hist) ‎If you need to change the number of atoms (e.g. making a united-atom charmm19 .crd file, or if atoms are missing) ‎[2,569 bytes]
  129. (hist) ‎Visitor policy ‎[2,586 bytes]
  130. (hist) ‎Progress ‎[2,600 bytes]
  131. (hist) ‎Electronic Structure Group Meetings ‎[2,664 bytes]
  132. (hist) ‎Coulomb Integral ‎[2,674 bytes]
  133. (hist) ‎Perm-prmtop.py ‎[2,688 bytes]
  134. (hist) ‎Path2xyz.py ‎[2,706 bytes]
  135. (hist) ‎Extractedmin2pdb.py ‎[2,732 bytes]
  136. (hist) ‎Optimising a path ‎[2,825 bytes]
  137. (hist) ‎Lapack compilation ‎[2,842 bytes]
  138. (hist) ‎Global optimization of biomolecules using AMBER9 ‎[2,870 bytes]
  139. (hist) ‎General queueing problems ‎[2,873 bytes]
  140. (hist) ‎DisconnectionDPS ‎[2,922 bytes]
  141. (hist) ‎Restarting a GMIN run from a dump file ‎[2,961 bytes]
  142. (hist) ‎Simple scripts for LEaP to create topology and coordinate files ‎[2,975 bytes]
  143. (hist) ‎Path2pdb.py ‎[3,121 bytes]
  144. (hist) ‎James Spencer ‎[3,163 bytes]
  145. (hist) ‎Proposed changes to backup and archiving ‎[3,179 bytes]
  146. (hist) ‎Makerestart ‎[3,187 bytes]
  147. (hist) ‎CamCASP/Bugs/6 ‎[3,189 bytes]
  148. (hist) ‎Running GMIN with MD move steps AMBER ‎[3,196 bytes]
  149. (hist) ‎Mek-quake Queueing system ‎[3,235 bytes]
  150. (hist) ‎Advanced colouring ‎[3,310 bytes]
  151. (hist) ‎Using VMD to display and manipulate '.pdb' files ‎[3,326 bytes]
  152. (hist) ‎Latex2html ‎[3,350 bytes]
  153. (hist) ‎CamCASP/ToDo ‎[3,425 bytes]
  154. (hist) ‎Generating parameters using RESP charges from GAMESS-US ‎[3,439 bytes]
  155. (hist) ‎Running a Go model with the AMHGMIN ‎[3,460 bytes]
  156. (hist) ‎SuSE 10.1 workstation image ‎[3,466 bytes]
  157. (hist) ‎Useful PBS scripts ‎[3,478 bytes]
  158. (hist) ‎GraphTypes ‎[3,619 bytes]
  159. (hist) ‎Other useful scripts ‎[3,694 bytes]
  160. (hist) ‎CPMDInput ‎[3,711 bytes]
  161. (hist) ‎Dalton ‎[3,717 bytes]
  162. (hist) ‎Remastering Knoppix ‎[3,763 bytes]
  163. (hist) ‎CamCASP/ToDo/diskIO ‎[3,785 bytes]
  164. (hist) ‎Basic linux commands everyone should know! ‎[3,796 bytes]
  165. (hist) ‎CamCASP/Notes/1 ‎[3,796 bytes]
  166. (hist) ‎BookList ‎[3,809 bytes]
  167. (hist) ‎Backup strategy ‎[3,990 bytes]
  168. (hist) ‎Compiling GMIN with CHARMM ‎[4,031 bytes]
  169. (hist) ‎Using BHINTERP to find minima between two end points ‎[4,049 bytes]
  170. (hist) ‎Quick guide to awk ‎[4,095 bytes]
  171. (hist) ‎Wales Group Version control ‎[4,157 bytes]
  172. (hist) ‎Creating movies (.mpg) of paths using OPTIM ‎[4,160 bytes]
  173. (hist) ‎Runtime diagnostics with ifort ‎[4,379 bytes]
  174. (hist) ‎Producing sexy ray-traced images ‎[4,399 bytes]
  175. (hist) ‎NECI Parallelization ‎[4,577 bytes]
  176. (hist) ‎Relaxing existing minima with new potential and creating new database ‎[4,629 bytes]
  177. (hist) ‎CamCASP/Programming/9 ‎[4,806 bytes]
  178. (hist) ‎Preparing an AMBER topology file for a protein system ‎[5,005 bytes]
  179. (hist) ‎List of output files for PATHSAMPLE ‎[5,015 bytes]
  180. (hist) ‎Using the implicit membrane model IMM1 ‎[5,158 bytes]
  181. (hist) ‎Running a G\=o model with the AMHGMIN ‎[5,158 bytes]
  182. (hist) ‎Relaxing existing transition states with new potential and creating new database ‎[5,210 bytes]
  183. (hist) ‎SuSE 10.3 workstation image ‎[5,291 bytes]
  184. (hist) ‎Adding example input for Wales group programs ‎[5,385 bytes]
  185. (hist) ‎CamCASP/Programming/4 ‎[5,522 bytes]
  186. (hist) ‎Installing python modules ‎[5,638 bytes]
  187. (hist) ‎CamCASP/Notes/2 ‎[5,707 bytes]
  188. (hist) ‎CamCASP/Programming/6 ‎[5,873 bytes]
  189. (hist) ‎GPU processing ‎[5,875 bytes]
  190. (hist) ‎Useful Python Scripts ‎[5,925 bytes]
  191. (hist) ‎CamCASP/Notes/4 ‎[6,493 bytes]
  192. (hist) ‎Tardis scheduling policy ‎[6,504 bytes]
  193. (hist) ‎Catherine Pitt ‎[7,247 bytes]
  194. (hist) ‎SVN setup ‎[7,685 bytes]
  195. (hist) ‎Compiling AMBER Tools so you can start making input and analyzing output ‎[8,162 bytes]
  196. (hist) ‎Environment modules ‎[8,238 bytes]
  197. (hist) ‎Revamping the modules system ‎[9,487 bytes]
  198. (hist) ‎Git ‎[9,502 bytes]
  199. (hist) ‎CamCASP/Programming/2 ‎[9,844 bytes]
  200. (hist) ‎Fortran issues ‎[10,085 bytes]
  201. (hist) ‎Short 'awk' examples ‎[10,094 bytes]
  202. (hist) ‎Git-NECI ‎[10,114 bytes]
  203. (hist) ‎NECI-testcode ‎[10,160 bytes]
  204. (hist) ‎Visualising normal modes using VMD and OPTIM ‎[10,712 bytes]
  205. (hist) ‎CamCASP/Programming/0 ‎[10,979 bytes]
  206. (hist) ‎NECI Re-write ‎[12,553 bytes]
  207. (hist) ‎CamCASP/Notes/3 ‎[12,695 bytes]
  208. (hist) ‎REMD with AMBER ‎[12,903 bytes]
  209. (hist) ‎CamCASP/Bugs/8 ‎[13,243 bytes]
  210. (hist) ‎CamCASP/Notes/7 ‎[13,344 bytes]
  211. (hist) ‎CamCASP/Programming/1 ‎[13,527 bytes]
  212. (hist) ‎CamCASP/Compilation ‎[14,287 bytes]
  213. (hist) ‎CamCASP/Interfaces ‎[14,849 bytes]
  214. (hist) ‎CamCASP/PFIT ‎[16,093 bytes]
  215. (hist) ‎Calculating rate constants (GT and fastest path) ‎[16,099 bytes]
  216. (hist) ‎Preparing an AMBER topology file for a protein plus ligand system ‎[17,913 bytes]
  217. (hist) ‎Short 'sed' examples ‎[18,380 bytes]
  218. (hist) ‎CamCASP/Bugs/9 ‎[18,513 bytes]
  219. (hist) ‎ElaborateDiff ‎[19,530 bytes]
  220. (hist) ‎CamCASP/Programming/7 ‎[20,615 bytes]
  221. (hist) ‎CamCASP/Numerical ‎[22,177 bytes]
  222. (hist) ‎Useful Makefiles ‎[23,113 bytes]
  223. (hist) ‎SVN Page ‎[28,764 bytes]

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