User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (10 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
2021 8645
Re: Does the free charmm v...
(rmv) - Yesterday at 01:15 PM
Energy terms, Constraints, Restraints, and Solvation (11 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
739 3068
Re: Flipping a protein seg...
(rmv) - 11/13/18 11:54 AM
Parameter Set Discussion (6 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1380 6283
Errors when using CGenFF s...
(dkarandur) - 02/13/19 09:51 PM
Molecular Dynamics (10 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1554 7150
Equilibrating protein usin...
(Ernesto) - 02/14/19 06:03 PM
Minimization, Normal modes, Monte Carlo,... (4 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
398 1573
Re: pca data projection pr...
(rmv) - 01/03/19 11:55 AM
Installation and Testing (5 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
727 3631
Re: openmm installation fa...
(rmv) - 02/01/19 04:11 PM
Performance and Benchmarking (1 viewing)
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
228 843
Re: Charmm in Ubuntu can n...
(rmv) - 01/12/19 10:48 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