User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (5 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
1974 8458
Re: using CHARMM for GTP
(AnnaBkmn) - 02/15/18 05:57 AM
Energy terms, Constraints, Restraints, and Solvation
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
735 3058
Re: RESIDUE NUMBER OVERFLO...
(mala) - 01/25/18 10:21 PM
Parameter Set Discussion (6 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1361 6213
Re: Regarding setting topo...
(rmv) - 02/08/18 12:14 PM
Molecular Dynamics (4 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1542 7094
Re: Targeted MD not pullin...
(rmv) - 02/07/18 08:41 PM
Minimization, Normal modes, Monte Carlo,... (3 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
395 1567
Re: minimization parameter...
(rmv) - 01/18/18 11:28 AM
Installation and Testing (2 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
711 3555
Re: Problems installing c4...
(cmp_fc2) - 02/16/18 01:52 PM
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
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