User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (4 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
1995 8526
Re: Connecting a new resid...
(rmv) - 06/20/18 04:26 PM
Energy terms, Constraints, Restraints, and Solvation (2 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
736 3061
Re: Electrostatic force ex...
(inakollu) - 06/18/18 12:06 AM
Parameter Set Discussion (1 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1369 6231
Re: Parameter File descrip...
(Sabya) - 06/21/18 01:11 AM
Molecular Dynamics (1 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1546 7106
Re: Cons fix during MD ana...
(EArtikis) - 06/21/18 10:53 AM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
397 1571
Re: minimization of LATTic...
(rmv) - 04/25/18 01:48 PM
Installation and Testing (1 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
717 3573
Re: REPDSTR in c43a2
(shane yue) - 05/15/18 10:40 AM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: John Legato, lennart, rmv
19 135
Re: Correct implementation...
(lennart) - 04/25/17 09:29 AM
Other User Discussion and Questions (1 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
227 837
Re: Segmentation fault in ...
(Colin Bannister) - 01/10/18 05:26 AM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, John Legato, rmv
61 221
Re: question about point s...
(rmv) - 12/31/17 01:57 PM