User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (6 viewing)
scripting; reading & writing files
Moderated by: John Legato, lennart
2,047 8,775
04/07/20 06:24 PM
by rmv
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, John Legato
12/19/19 02:38 AM
rmv
759 3,151
12/19/19 02:38 AM
by rmv
Parameter Set Discussion (8 viewing)
topology & parameter files; adding molecules
Moderated by: alex, chmgr, John Legato
1,403 6,374
02/03/20 02:25 PM
by lennart
Molecular Dynamics (7 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, John Legato, wxw
1,568 7,205
01/10/20 06:46 PM
by lennart
Minimization, Normal modes, Monte Carlo,... (2 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, John Legato
01/03/19 04:55 PM
rmv
398 1,573
01/03/19 04:55 PM
by rmv
Installation and Testing (2 viewing)
compilation, testing, execution
Moderated by: chmgr, John Legato, lennart
737 3,672
02/28/20 09:03 PM
by rmv
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderated by: John Legato, lennart, rmv
11/20/19 06:27 AM
jamesmao
21 147
11/20/19 06:27 AM
by jamesmao
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderated by: chmgr, John Legato, 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: hlwood, John Legato, rmv
04/07/20 06:07 PM
rmv
62 223
04/07/20 06:07 PM
by rmv
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