User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (9 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
2043 8766
Umbrella sampling reaction...
(vidhya) - 12/06/19 01:59 AM
Energy terms, Constraints, Restraints, and Solvation (4 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
758 3147
Re: Segmentation fault err...
(NoviceUser) - 12/06/19 12:52 PM
Parameter Set Discussion (6 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1401 6370
Re: D-peptides in GROMACS
(lennart) - Yesterday at 05:34 PM
Molecular Dynamics (9 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1567 7189
D-peptides in GROMACS
(Mohsen) - Yesterday at 03:25 AM
Minimization, Normal modes, Monte Carlo,...
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 (2 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