User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (12 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
2040 8752
Re: Generating CHARMM Forc...
(rmv) - 10/03/19 03:08 PM
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
750 3118
Re: Isomerisation Energy L...
(rmv) - 09/11/19 11:22 AM
Parameter Set Discussion (13 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1397 6355
Input generator>membran...
(yogesh) - 09/30/19 05:54 AM
Molecular Dynamics (4 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1562 7174
Re: Rdfsol command ussage
(aad) - 08/01/19 12:53 PM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
398 1573
Re: pca data projection pr...
(rmv) - 01/03/19 11:55 AM
Installation and Testing (3 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
733 3659
Re: Fortran runtime error:...
(rmv) - 09/10/19 11:40 AM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: John Legato, lennart, rmv
20 143
Re: openmm protein water c...
(rmv) - 08/09/19 11:47 AM
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
228 844
Re: coor conv, RHDO and NA...
(Antoniel Gomes) - 05/16/19 01:05 PM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, John Legato, rmv
61 221
Re: question about point s...
(rmv) - 12/31/17 01:57 PM