User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (9 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
06/22/21 06:01 PM
rmv
2,078 8,888
06/22/21 06:01 PM
by rmv
Energy terms, Constraints, Restraints, and Solvation (2 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
770 3,192
04/12/21 03:53 PM
by rmv
Parameter Set Discussion (6 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
06/03/21 11:17 PM
Rizal
1,424 6,450
06/03/21 11:17 PM
by Rizal
Molecular Dynamics (6 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
1,584 7,290
06/03/21 05:49 PM
by lennart
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, lennart, rmv
401 1,589
06/08/21 08:38 PM
by HBfrindle
Installation and Testing (5 viewing)
compilation, testing, execution
Moderated by: lennart, rmv
745 3,720
04/01/21 07:41 AM
by moth
Performance and Benchmarking (2 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
02/26/21 05:34 PM
ErandiUSJP
230 850
02/26/21 05:34 PM
by ErandiUSJP
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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