User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (4 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
2037 8738
Re: Fortran runtime error:...
(lennart) - Yesterday at 05:31 AM
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
749 3111
Re: strengthen hydrogen bo...
(lennart) - 08/21/19 08:32 AM
Parameter Set Discussion (7 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1395 6346
Re: I don't know parameter...
(rmv) - Today at 10:44 AM
Molecular Dynamics (9 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,... (1 viewing)
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 (1 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
732 3655
Re: CHARMM on GPU machine
(Corey Taylor) - 08/09/19 06:39 AM
Performance and Benchmarking (1 viewing)
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 (2 viewing)
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