User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (3 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
01/14/21 04:27 PM
rmv
2,076 8,883
01/14/21 04:27 PM
by rmv
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
01/11/21 04:29 AM
dengwenhao
766 3,181
01/11/21 04:29 AM
by dengwenhao
Parameter Set Discussion (5 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
12/25/20 09:03 PM
AbhiAcharya
1,416 6,420
12/25/20 09:03 PM
by AbhiAcharya
Molecular Dynamics (3 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
1,582 7,276
01/21/21 08:13 PM
by Rakesh
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, lennart, rmv
10/23/20 10:40 AM
Allen_123
401 1,583
10/23/20 10:40 AM
by Allen_123
Installation and Testing (1 viewing)
compilation, testing, execution
Moderated by: lennart, rmv
743 3,704
01/14/21 03:49 PM
by rmv
Performance and Benchmarking
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 (1 viewing)
more general computational chemistry issues
Moderated by: lennart, rmv
64 231
07/16/20 04:55 PM
by cm14sjm
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