User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (4 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
09/16/21 01:28 AM
rmv
2,084 8,911
09/16/21 01:28 AM
by rmv
Energy terms, Constraints, Restraints, and Solvation (2 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
771 3,201
08/31/21 11:04 PM
by ASmittie
Parameter Set Discussion (3 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
09/08/21 11:49 AM
lennart
1,430 6,465
09/08/21 11:49 AM
by lennart
Molecular Dynamics (4 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,... (1 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, lennart, rmv
402 1,591
08/06/21 03:57 PM
by rmv
Installation and Testing (1 viewing)
compilation, testing, execution
Moderated by: lennart, rmv
07/13/21 01:44 PM
mspichty
746 3,721
07/13/21 01:44 PM
by mspichty
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
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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