User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (6 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
2014 8607
Re: merge and recenter mul...
(rmv) - Today at 11:34 AM
Energy terms, Constraints, Restraints, and Solvation (4 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
739 3068
Re: Flipping a protein seg...
(rmv) - 11/13/18 11:54 AM
Parameter Set Discussion (8 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1376 6270
Re: deprotonated tyrosine
(Ryan L Hayes) - 11/20/18 06:16 PM
Molecular Dynamics (10 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1551 7135
Re: input file of Free ene...
(rmv) - 10/11/18 03:59 PM
Minimization, Normal modes, Monte Carlo,... (2 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
397 1571
Re: minimization of LATTic...
(rmv) - 04/25/18 01:48 PM
Installation and Testing (5 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
720 3599
Re: regarding installation...
(bucknerj) - 11/27/18 12:46 PM
Performance and Benchmarking (1 viewing)
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: John Legato, lennart, rmv
19 135
Re: Correct implementation...
(lennart) - 04/25/17 09:29 AM
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
227 837
Re: Segmentation fault in ...
(Colin Bannister) - 01/10/18 05:26 AM
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