User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (3 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
2044 8768
Re: Restarting file does ...
(lennart) - 12/12/19 05:25 AM
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
759 3151
Re: Total energy in Charmm
(rmv) - 12/18/19 09:38 PM
Parameter Set Discussion (4 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1401 6370
Re: D-peptides in GROMACS
(lennart) - 12/08/19 05:34 PM
Molecular Dynamics (4 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1568 7205
Re: Regarding with dynamic...
(lennart) - 01/10/20 01:46 PM
Minimization, Normal modes, Monte Carlo,... (1 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 (3 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
736 3670
Compile w/o COLFFT for CRY...
(rmv) - 11/30/19 05:47 PM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: John Legato, lennart, rmv
21 147
Re: heating using CHARMM/O...
(jamesmao) - 11/20/19 01:27 AM
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
228 844
Re: coor conv, RHDO and NA...
(Antoniel Gomes) - 05/16/19 01:05 PM
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