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Showing below up to 223 results in range #1 to #223.
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- (hist) SVN Page [28,764 bytes]
- (hist) Useful Makefiles [23,113 bytes]
- (hist) CamCASP/Numerical [22,177 bytes]
- (hist) CamCASP/Programming/7 [20,615 bytes]
- (hist) ElaborateDiff [19,530 bytes]
- (hist) CamCASP/Bugs/9 [18,513 bytes]
- (hist) Short 'sed' examples [18,380 bytes]
- (hist) Preparing an AMBER topology file for a protein plus ligand system [17,913 bytes]
- (hist) Calculating rate constants (GT and fastest path) [16,099 bytes]
- (hist) CamCASP/PFIT [16,093 bytes]
- (hist) CamCASP/Interfaces [14,849 bytes]
- (hist) CamCASP/Compilation [14,287 bytes]
- (hist) CamCASP/Programming/1 [13,527 bytes]
- (hist) CamCASP/Notes/7 [13,344 bytes]
- (hist) CamCASP/Bugs/8 [13,243 bytes]
- (hist) REMD with AMBER [12,903 bytes]
- (hist) CamCASP/Notes/3 [12,695 bytes]
- (hist) NECI Re-write [12,553 bytes]
- (hist) CamCASP/Programming/0 [10,979 bytes]
- (hist) Visualising normal modes using VMD and OPTIM [10,712 bytes]
- (hist) NECI-testcode [10,160 bytes]
- (hist) Git-NECI [10,114 bytes]
- (hist) Short 'awk' examples [10,094 bytes]
- (hist) Fortran issues [10,085 bytes]
- (hist) CamCASP/Programming/2 [9,844 bytes]
- (hist) Git [9,502 bytes]
- (hist) Revamping the modules system [9,487 bytes]
- (hist) Environment modules [8,238 bytes]
- (hist) Compiling AMBER Tools so you can start making input and analyzing output [8,162 bytes]
- (hist) SVN setup [7,685 bytes]
- (hist) Catherine Pitt [7,247 bytes]
- (hist) Tardis scheduling policy [6,504 bytes]
- (hist) CamCASP/Notes/4 [6,493 bytes]
- (hist) Useful Python Scripts [5,925 bytes]
- (hist) GPU processing [5,875 bytes]
- (hist) CamCASP/Programming/6 [5,873 bytes]
- (hist) CamCASP/Notes/2 [5,707 bytes]
- (hist) Installing python modules [5,638 bytes]
- (hist) CamCASP/Programming/4 [5,522 bytes]
- (hist) Adding example input for Wales group programs [5,385 bytes]
- (hist) SuSE 10.3 workstation image [5,291 bytes]
- (hist) Relaxing existing transition states with new potential and creating new database [5,210 bytes]
- (hist) Running a G\=o model with the AMHGMIN [5,158 bytes]
- (hist) Using the implicit membrane model IMM1 [5,158 bytes]
- (hist) List of output files for PATHSAMPLE [5,015 bytes]
- (hist) Preparing an AMBER topology file for a protein system [5,005 bytes]
- (hist) CamCASP/Programming/9 [4,806 bytes]
- (hist) Relaxing existing minima with new potential and creating new database [4,629 bytes]
- (hist) NECI Parallelization [4,577 bytes]
- (hist) Producing sexy ray-traced images [4,399 bytes]
- (hist) Runtime diagnostics with ifort [4,379 bytes]
- (hist) Creating movies (.mpg) of paths using OPTIM [4,160 bytes]
- (hist) Wales Group Version control [4,157 bytes]
- (hist) Quick guide to awk [4,095 bytes]
- (hist) Using BHINTERP to find minima between two end points [4,049 bytes]
- (hist) Compiling GMIN with CHARMM [4,031 bytes]
- (hist) Backup strategy [3,990 bytes]
- (hist) BookList [3,809 bytes]
- (hist) CamCASP/Notes/1 [3,796 bytes]
- (hist) Basic linux commands everyone should know! [3,796 bytes]
- (hist) CamCASP/ToDo/diskIO [3,785 bytes]
- (hist) Remastering Knoppix [3,763 bytes]
- (hist) Dalton [3,717 bytes]
- (hist) CPMDInput [3,711 bytes]
- (hist) Other useful scripts [3,694 bytes]
- (hist) GraphTypes [3,619 bytes]
- (hist) Useful PBS scripts [3,478 bytes]
- (hist) SuSE 10.1 workstation image [3,466 bytes]
- (hist) Running a Go model with the AMHGMIN [3,460 bytes]
- (hist) Generating parameters using RESP charges from GAMESS-US [3,439 bytes]
- (hist) CamCASP/ToDo [3,425 bytes]
- (hist) Latex2html [3,350 bytes]
- (hist) Using VMD to display and manipulate '.pdb' files [3,326 bytes]
- (hist) Advanced colouring [3,310 bytes]
- (hist) Mek-quake Queueing system [3,235 bytes]
- (hist) Running GMIN with MD move steps AMBER [3,196 bytes]
- (hist) CamCASP/Bugs/6 [3,189 bytes]
- (hist) Makerestart [3,187 bytes]
- (hist) Proposed changes to backup and archiving [3,179 bytes]
- (hist) James Spencer [3,163 bytes]
- (hist) Path2pdb.py [3,121 bytes]
- (hist) Simple scripts for LEaP to create topology and coordinate files [2,975 bytes]
- (hist) Restarting a GMIN run from a dump file [2,961 bytes]
- (hist) DisconnectionDPS [2,922 bytes]
- (hist) General queueing problems [2,873 bytes]
- (hist) Global optimization of biomolecules using AMBER9 [2,870 bytes]
- (hist) Lapack compilation [2,842 bytes]
- (hist) Optimising a path [2,825 bytes]
- (hist) Extractedmin2pdb.py [2,732 bytes]
- (hist) Path2xyz.py [2,706 bytes]
- (hist) Perm-prmtop.py [2,688 bytes]
- (hist) Coulomb Integral [2,674 bytes]
- (hist) Electronic Structure Group Meetings [2,664 bytes]
- (hist) Progress [2,600 bytes]
- (hist) Visitor policy [2,586 bytes]
- (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]
- (hist) Pgi64/8.0/1 [2,482 bytes]
- (hist) CamCASP/Releases [2,478 bytes]
- (hist) Loading coordinate files into VMD with the help of an AMBER topology file [2,474 bytes]
- (hist) CamCASP/CodeExamples/DirectAccess [2,455 bytes]
- (hist) Assets [2,448 bytes]
- (hist) Converting between '.crd' and '.pdb' [2,443 bytes]
- (hist) CamCASP/Programming/5 [2,409 bytes]
- (hist) SuSE 10.2 workstation image [2,396 bytes]
- (hist) Finding an initial path between two end points (minima) [2,352 bytes]
- (hist) CamCASP/Bugs/9/pyr2-double-Hbonded.clt [2,263 bytes]
- (hist) CamCASP/Bugs/7 [2,217 bytes]
- (hist) Known Bugs [2,163 bytes]
- (hist) Xfig [2,147 bytes]
- (hist) EffectiveSupercell [2,117 bytes]
- (hist) Printing files from the command line using 'lpr' [2,086 bytes]
- (hist) Debugging odd transition states in OPTIM [2,081 bytes]
- (hist) Removing minima and transition states from the database [1,964 bytes]
- (hist) CamCASP/BasisSets [1,955 bytes]
- (hist) OS X and Linux tips [1,864 bytes]
- (hist) AMBER [1,839 bytes]
- (hist) Main Page [1,826 bytes]
- (hist) Submitting jobs, interactively or to a cluster queue system [1,793 bytes]
- (hist) VMD [1,768 bytes]
- (hist) Wales Group Conventions when using LaTex [1,743 bytes]
- (hist) Wales group calendars [1,679 bytes]
- (hist) Pdb to movie.py [1,658 bytes]
- (hist) CamCASP/Notes/8 [1,651 bytes]
- (hist) IT Equipment wishlist [1,636 bytes]
- (hist) Aux2bib [1,627 bytes]
- (hist) Pymol [1,613 bytes]
- (hist) Global optimization of biomolecules using AMBER9 with Structural Restraints [1,596 bytes]
- (hist) CamCASP/Bugs/3 [1,589 bytes]
- (hist) Upgrading sword [1,451 bytes]
- (hist) Symmetry [1,435 bytes]
- (hist) Setting up aliases to quickly log you in to a different machine [1,419 bytes]
- (hist) CamCASP/Programming/3 [1,358 bytes]
- (hist) CHARMM [1,342 bytes]
- (hist) Transfering files to and from your workstation [1,341 bytes]
- (hist) Organizing papers with tellico [1,325 bytes]
- (hist) Evaluating different components of AMBER energy function with SANDER [1,300 bytes]
- (hist) CamCASP [1,284 bytes]
- (hist) Adding a model to OPTIM [1,252 bytes]
- (hist) Intel Trace Analyzer and Collector [1,225 bytes]
- (hist) Removing an excessive number of files from a directory - when 'rm' just isn't enough [1,222 bytes]
- (hist) Selecting search parameters for GMIN [1,219 bytes]
- (hist) Wales Group Fortran conventions for group software [1,208 bytes]
- (hist) PATHSAMPLE [1,201 bytes]
- (hist) Identifying job on a node [1,164 bytes]
- (hist) Conversion between different image file formats [1,157 bytes]
- (hist) CamCASP/Programming/8 [1,156 bytes]
- (hist) CamCASP/Programming/5/example1 [1,138 bytes]
- (hist) Rama upgrade [1,135 bytes]
- (hist) Recommended bash aliases [1,116 bytes]
- (hist) CamCASP/Bugs/1 [1,114 bytes]
- (hist) Minimizing a structure using OPTIM and AMBER9 [1,106 bytes]
- (hist) Mounting sharedscratch locally [1,094 bytes]
- (hist) Conversion between different data file formats [1,056 bytes]
- (hist) Mek-quake initial setup notes [1,052 bytes]
- (hist) REX (Replica EXchange MD) with the MMTSB-toolset [1,047 bytes]
- (hist) Colourdiscon.py [996 bytes]
- (hist) ParallelCode [988 bytes]
- (hist) CamCASP/Bugs/2 [974 bytes]
- (hist) GMIN [956 bytes]
- (hist) Piping and redirecting output from one command or file to another [950 bytes]
- (hist) Group wish list [903 bytes]
- (hist) Upgrading destiny [898 bytes]
- (hist) Torque and Maui [891 bytes]
- (hist) Adding a model to GMIN [889 bytes]
- (hist) The effect of calculating less than the maximum number of eigenvalues using ENDHESS n [882 bytes]
- (hist) OPTIM output files [879 bytes]
- (hist) Bug hunting tips for group code [870 bytes]
- (hist) Using 'ssh-keygen' to automatically log you into clusters from your workstation [857 bytes]
- (hist) Zippo Sicortex machine [831 bytes]
- (hist) LDAP plans [825 bytes]
- (hist) Doxygen [819 bytes]
- (hist) Adding a model for PATHSAMPLE [816 bytes]
- (hist) CPMD [756 bytes]
- (hist) Adding partially finished OPTIM stationary points to a PATHSAMPLE database [740 bytes]
- (hist) CamCASP/Bugs/5 [731 bytes]
- (hist) Xmgrace [710 bytes]
- (hist) OPTIM output files (some of the them at least) [698 bytes]
- (hist) Maui compilation [698 bytes]
- (hist) CamCASP/Bugs [675 bytes]
- (hist) Plotting data in real time [675 bytes]
- (hist) If you lost file min.data, but still you have points.min [673 bytes]
- (hist) OPTIM [673 bytes]
- (hist) Useful .vmdrc file [658 bytes]
- (hist) CamCASP/Bugs/4 [639 bytes]
- (hist) Xmakemol [638 bytes]
- (hist) CamCASP/ToDo/Memory [633 bytes]
- (hist) Performing a normal mode analysis of a biomolecule using OPTIM (AMBER and CHARMM) [616 bytes]
- (hist) Gnuplot [605 bytes]
- (hist) David's .inputrc file [587 bytes]
- (hist) CamCASP/Programming [533 bytes]
- (hist) If things go wrong... [522 bytes]
- (hist) Path.info file is not read, causes PATHSAMPLE to die [520 bytes]
- (hist) Calculating rate constants (SGT, DGT, and SDGT) [485 bytes]
- (hist) Fixing thunderbird links [464 bytes]
- (hist) CamCASP/Notes [453 bytes]
- (hist) Producing a PDB from a coordinates and topology file [442 bytes]
- (hist) Finding bugs in latex documents that will not compile [436 bytes]
- (hist) Generating parameters using AMBER's built in General Forcefield (gaff) [396 bytes]
- (hist) Other IT stuff [392 bytes]
- (hist) CamCASP/Notes/5 [390 bytes]
- (hist) AlaviGroup [345 bytes]
- (hist) Perm-pdb.py [325 bytes]
- (hist) See unpacked nodes [313 bytes]
- (hist) Chris Whittleston [310 bytes]
- (hist) Computer Office services [288 bytes]
- (hist) Differences from Clust [265 bytes]
- (hist) SuSE 11.1 [230 bytes]
- (hist) Wales Group [228 bytes]
- (hist) To Do [221 bytes]
- (hist) GroupPages [209 bytes]
- (hist) New mek-quake [195 bytes]
- (hist) Using Molfacture to edit molecules and add hydrogens [185 bytes]
- (hist) CamCasp [180 bytes]
- (hist) Using tar and gzip to compress/uncompress files [162 bytes]
- (hist) File server options [86 bytes]
- (hist) CamCASP/Notes/6 [82 bytes]
- (hist) Running programs in the background [77 bytes]
- (hist) NECI [65 bytes]
- (hist) Programming [18 bytes]
- (hist) Chris's 'all you can eat' tips [17 bytes]
- (hist) Anthony & Alston [14 bytes]
- (hist) If things go wrong... (perish the thought!) [0 bytes]
- (hist) LinuxTips [0 bytes]