User Discussion & Questions
CHARMM usage
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Setup, I/O, and Basic questions (6 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
07/10/20 04:24 PM
rmv
2,057 8,809
07/10/20 04:24 PM
by rmv
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 (3 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
1,410 6,395
06/12/20 11:02 PM
by rmv
Molecular Dynamics (6 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
07/08/20 06:38 PM
lennart
1,573 7,233
07/08/20 06:38 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 (5 viewing)
compilation, testing, execution
Moderated by: lennart, rmv
739 3,683
05/14/20 09:24 AM
by lennart
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
05/16/19 05:05 PM
Antoniel Gomes
228 844
05/16/19 05:05 PM
by Antoniel Gomes
General Chemistry Discussions
more general computational chemistry issues
Moderated by: lennart, rmv
63 230
04/21/20 03:49 PM
by rmv
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