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
2001 8555
Re: how to deal with the c...
(rmv) - 08/17/18 10:45 AM
Energy terms, Constraints, Restraints, and Solvation (1 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 (4 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1372 6260
Re: problem of Cgen FF
(Caez) - 08/12/18 04:20 PM
Molecular Dynamics (4 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1548 7119
Re: Targeted MD not pullin...
(rmv) - 08/14/18 04:44 PM
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 (6 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