User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (7 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
2,076 8,883
02/03/21 08:05 PM
by akash
Energy terms, Constraints, Restraints, and Solvation (2 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
768 3,188
03/26/21 03:25 PM
by lennart
Parameter Set Discussion (8 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
1,421 6,436
02/25/21 08:05 PM
by rmv
Molecular Dynamics (3 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
03/17/21 01:08 AM
rmv
1,583 7,283
03/17/21 01:08 AM
by rmv
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
400 1,579
10/23/20 10:40 AM
by Allen_123
Installation and Testing (1 viewing)
compilation, testing, execution
Moderated by: lennart, rmv
745 3,720
04/01/21 07:41 AM
by moth
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
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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