User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (2 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
2009 8581
Re: write center of mass o...
(Anupam) - 10/07/18 02:57 AM
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
736 3062
Re: SSBP boundary radius ?
(vidhya) - 09/11/18 01:43 AM
Parameter Set Discussion (5 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1376 6267
Re: atomsel: writepdb fail...
(lennart) - 09/11/18 05:19 AM
Molecular Dynamics (7 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1551 7135
Re: input file of Free ene...
(rmv) - 10/11/18 03:59 PM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
397 1571
Re: minimization of LATTic...
(rmv) - 04/25/18 01:48 PM
Installation and Testing (3 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
718 3588
Re: command line to run ch...
(rmv) - 08/28/18 07:55 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 (2 viewing)
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