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Showing below up to 223 results in range #1 to #223.

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

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