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Showing below up to 173 results in range #51 to #223.
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- Fortran issues (17 revisions)
- CamCASP/ToDo (16 revisions)
- Running a Go model with the AMHGMIN (16 revisions)
- Simple scripts for LEaP to create topology and coordinate files (16 revisions)
- DisconnectionDPS (15 revisions)
- Printing files from the command line using 'lpr' (15 revisions)
- Running GMIN with MD move steps AMBER (15 revisions)
- Global optimization of biomolecules using AMBER9 (14 revisions)
- CamCASP/Programming (14 revisions)
- Makerestart (14 revisions)
- Using the implicit membrane model IMM1 (14 revisions)
- CamCASP/Interfaces (14 revisions)
- Git (13 revisions)
- SuSE 10.2 workstation image (13 revisions)
- OPTIM (13 revisions)
- CamCASP/Notes (13 revisions)
- Other useful scripts (13 revisions)
- James Spencer (13 revisions)
- Compiling AMBER Tools so you can start making input and analyzing output (13 revisions)
- Mek-quake Queueing system (13 revisions)
- Adding a model to OPTIM (12 revisions)
- CamCASP/Programming/4 (12 revisions)
- CamCASP/Notes/2 (12 revisions)
- OS X and Linux tips (12 revisions)
- Useful PBS scripts (12 revisions)
- Proposed changes to backup and archiving (12 revisions)
- David's .inputrc file (12 revisions)
- Colourdiscon.py (12 revisions)
- Environment modules (12 revisions)
- Advanced colouring (11 revisions)
- Evaluating different components of AMBER energy function with SANDER (11 revisions)
- Wales Group Conventions when using LaTex (11 revisions)
- VMD (11 revisions)
- Debugging odd transition states in OPTIM (11 revisions)
- Pymol (11 revisions)
- CamCASP/Notes/7 (11 revisions)
- Relaxing existing transition states with new potential and creating new database (10 revisions)
- CamCASP/PFIT (10 revisions)
- Latex2html (10 revisions)
- CamCASP/Programming/5 (10 revisions)
- OPTIM output files (some of the them at least) (10 revisions)
- Removing minima and transition states from the database (10 revisions)
- Preparing an AMBER topology file for a protein system (10 revisions)
- Coulomb Integral (10 revisions)
- Doxygen (10 revisions)
- Pdb to movie.py (9 revisions)
- BookList (9 revisions)
- Creating movies (.mpg) of paths using OPTIM (9 revisions)
- Visitor policy (9 revisions)
- Adding a model for PATHSAMPLE (9 revisions)
- Path2xyz.py (8 revisions)
- Optimising a path (8 revisions)
- Other IT stuff (8 revisions)
- Lapack compilation (8 revisions)
- Converting between '.crd' and '.pdb' (8 revisions)
- ElaborateDiff (8 revisions)
- Useful Python Scripts (8 revisions)
- CamCASP/Notes/4 (8 revisions)
- Piping and redirecting output from one command or file to another (8 revisions)
- Mek-quake initial setup notes (7 revisions)
- Wales group calendars (7 revisions)
- OPTIM output files (7 revisions)
- Adding a model to GMIN (7 revisions)
- CamCASP/Programming/3 (7 revisions)
- CamCASP/Programming/6 (7 revisions)
- Setting up aliases to quickly log you in to a different machine (7 revisions)
- CamCASP/Releases (7 revisions)
- NECI Parallelization (7 revisions)
- ParallelCode (7 revisions)
- Known Bugs (7 revisions)
- AlaviGroup (6 revisions)
- Transfering files to and from your workstation (6 revisions)
- Loading coordinate files into VMD with the help of an AMBER topology file (6 revisions)
- Restarting a GMIN run from a dump file (6 revisions)
- Conversion between different image file formats (6 revisions)
- CamCASP/Notes/3 (6 revisions)
- Xmgrace (6 revisions)
- 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)
- Remastering Knoppix (6 revisions)
- CamCASP/Bugs/7 (6 revisions)
- NECI (5 revisions)
- Short 'sed' examples (5 revisions)
- If you lost file min.data, but still you have points.min (5 revisions)
- The effect of calculating less than the maximum number of eigenvalues using ENDHESS n (5 revisions)
- General queueing problems (5 revisions)
- GroupPages (5 revisions)
- CamCASP/BasisSets (5 revisions)
- SuSE 11.1 (5 revisions)
- Wales Group Fortran conventions for group software (5 revisions)
- CPMD (5 revisions)
- Chris Whittleston (5 revisions)
- Removing an excessive number of files from a directory - when 'rm' just isn't enough (5 revisions)
- Intel Trace Analyzer and Collector (5 revisions)
- LDAP plans (4 revisions)
- Xmakemol (4 revisions)
- Adding example input for Wales group programs (4 revisions)
- Short 'awk' examples (4 revisions)
- Identifying job on a node (4 revisions)
- LinuxTips (4 revisions)
- Global optimization of biomolecules using AMBER9 with Structural Restraints (4 revisions)
- Dalton (4 revisions)
- Adding partially finished OPTIM stationary points to a PATHSAMPLE database (4 revisions)
- See unpacked nodes (4 revisions)
- Zippo Sicortex machine (3 revisions)
- Using VMD to display and manipulate '.pdb' files (3 revisions)
- CamCASP/Bugs/4 (3 revisions)
- Using 'ssh-keygen' to automatically log you into clusters from your workstation (3 revisions)
- Generating parameters using AMBER's built in General Forcefield (gaff) (3 revisions)
- Generating parameters using RESP charges from GAMESS-US (3 revisions)
- Recommended bash aliases (3 revisions)
- CHARMM (3 revisions)
- Assets (3 revisions)
- Upgrading destiny (3 revisions)
- If things go wrong... (perish the thought!) (3 revisions)
- EffectiveSupercell (3 revisions)
- Progress (3 revisions)
- Selecting search parameters for GMIN (3 revisions)
- Aux2bib (3 revisions)
- CamCASP/Bugs/6 (3 revisions)
- CamCASP/ToDo/diskIO (3 revisions)
- Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM) (3 revisions)
- Perm-pdb.py (2 revisions)
- CamCASP/Bugs/9/pyr2-double-Hbonded.clt (2 revisions)
- Mounting sharedscratch locally (2 revisions)
- Useful .vmdrc file (2 revisions)
- Organizing papers with tellico (2 revisions)
- Using tar and gzip to compress/uncompress files (2 revisions)
- Submitting jobs, interactively or to a cluster queue system (2 revisions)
- Quick guide to awk (2 revisions)
- CamCasp (2 revisions)
- Plotting data in real time (2 revisions)
- Rama upgrade (2 revisions)
- Fixing thunderbird links (2 revisions)
- Maui compilation (2 revisions)
- To Do (2 revisions)
- Calculating rate constants (SGT, DGT, and SDGT) (2 revisions)
- Group wish list (2 revisions)
- Pgi64/8.0/1 (2 revisions)
- CamCASP/Bugs/3 (2 revisions)
- CamCASP/Bugs/5 (2 revisions)
- CamCASP/Programming/9 (2 revisions)
- Differences from Clust (2 revisions)
- Anthony & Alston (2 revisions)
- Xfig (2 revisions)
- Gnuplot (2 revisions)
- CamCASP/Notes/1 (2 revisions)
- CamCASP/ToDo/Memory (1 revision)
- Running programs in the background (1 revision)
- Backup strategy (1 revision)
- CamCASP/Notes/6 (1 revision)
- CamCASP/Notes/5 (1 revision)
- Bug hunting tips for group code (1 revision)
- CamCASP/Bugs/1 (1 revision)
- Installing python modules (1 revision)
- Finding bugs in latex documents that will not compile (1 revision)
- Using Molfacture to edit molecules and add hydrogens (1 revision)
- Producing a PDB from a coordinates and topology file (1 revision)
- CamCASP/CodeExamples/DirectAccess (1 revision)
- Torque and Maui (1 revision)
- CamCASP/Programming/5/example1 (1 revision)
- Runtime diagnostics with ifort (1 revision)
- CamCASP/Programming/8 (1 revision)
- Symmetry (1 revision)
- GraphTypes (1 revision)
- Path.info file is not read, causes PATHSAMPLE to die (1 revision)
- CPMDInput (1 revision)
- If things go wrong... (1 revision)
- CamCASP/Bugs/2 (1 revision)
- Chris's 'all you can eat' tips (1 revision)
- Programming (1 revision)
- REX (Replica EXchange MD) with the MMTSB-toolset (1 revision)
- CamCASP/Notes/8 (1 revision)
- Running a G\=o model with the AMHGMIN (1 revision)