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
1970 8409
Re: Corsol output file
(rmv) - 09/21/17 04:46 PM
Energy terms, Constraints, Restraints, and Solvation (4 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
731 3038
Re: membrane Minimization ...
(rmv) - 09/29/17 12:05 PM
Parameter Set Discussion (10 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1353 6193
Conversion of opls paramet...
(shivam) - 10/09/17 02:32 PM
Molecular Dynamics (5 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1532 7059
small gap in umbrella-samp...
(lqz) - 08/07/17 08:43 PM
Minimization, Normal modes, Monte Carlo,... (1 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
394 1565
Re: Generate sparse Hessia...
(Hyuntae) - 09/24/17 09:55 PM
Installation and Testing (5 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
707 3485
Re: installation problem
(lennart) - 10/02/17 06:38 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 (2 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
226 832
Re: CHARMM topology files ...
(Mitra) - 08/18/17 06:59 AM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, John Legato, rmv
60 217
Free energy of alchemical ...
(abhi) - 01/06/17 06:31 AM