User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (8 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
09/28/20 01:21 AM
Ripplet
2,071 8,860
09/28/20 01:21 AM
by Ripplet
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
06/24/20 06:15 AM
lin1209
764 3,173
06/24/20 06:15 AM
by lin1209
Parameter Set Discussion (6 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
08/30/20 04:53 PM
rmv
1,414 6,417
08/30/20 04:53 PM
by rmv
Molecular Dynamics (6 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
1,576 7,248
08/27/20 05:15 PM
by lennart
Minimization, Normal modes, Monte Carlo,... (3 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, lennart, rmv
07/10/20 04:26 PM
rmv
400 1,582
07/10/20 04:26 PM
by rmv
Installation and Testing (2 viewing)
compilation, testing, execution
Moderated by: lennart, rmv
09/09/20 08:08 AM
milan
742 3,694
09/09/20 08:08 AM
by milan
Performance and Benchmarking (1 viewing)
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderated by: lennart, rmv
04/24/20 04:56 AM
jamesmao
23 150
04/24/20 04:56 AM
by jamesmao
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderated by: lennart, rmv
229 845
09/24/20 12:41 PM
by cm14sjm
General Chemistry Discussions
more general computational chemistry issues
Moderated by: lennart, rmv
64 231
07/16/20 04:55 PM
by cm14sjm
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