User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (9 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
1966 8396
Re: append pdb crd psf xpl...
(lennart) - 07/25/17 02:14 PM
Energy terms, Constraints, Restraints, and Solvation (5 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
729 3030
Re: water model for permea...
(stimme) - 08/09/17 05:28 PM
Parameter Set Discussion (4 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1351 6188
Re: patch residue problem
(rmv) - Yesterday at 11:05 AM
Molecular Dynamics (8 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1532 7059
small gap in umbrella-samp...
(lqz) - 08/07/17 08:43 PM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
393 1562
Re: Vibran module of Charm...
(rmv) - 07/08/17 12:33 PM
Installation and Testing (1 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
705 3475
Re: installation problem
(lennart) - 08/06/17 04:06 PM
Performance and Benchmarking
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 (1 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
226 832
Re: CHARMM topology files ...
(Mitra) - Yesterday at 06:59 AM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, John Legato, rmv
60 217
Free energy of alchemical ...
(abhi) - 01/06/17 06:31 AM
CHARMM Interfaces
Programs or web apps connected to CHARMM
  Forums Threads Posts Last Post
QM/MM Discussion and Questions
QM/MM: semi-empirical and ab initio methods
Moderator: BRBrooks, John Legato
261 838
charmm download program
(vikram dalal) - 07/17/17 04:23 AM
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderator: hlwood, John Legato, tim
23 56
Keeping protein rigid duri...
(KKuder) - 11/10/16 04:39 AM
CHARMM-GUI (2 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: John Legato, wonpil
141 698
Charmm-gui "Martini t...
(Alessio88) - Yesterday at 07:59 AM
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
172 624
No topology file found
(Steve10) - 07/27/17 01:41 PM
Accelrys
Using CHARMM or CHARMm with Accelrys products
Moderator: BRBrooks, John Legato
58 161
Re: how to calculate parti...
(Ken) - 01/20/14 03:10 PM
CHARMM Community
Resources
  Forums Threads Posts Last Post
Script Archive (2 viewing)
post and download CHARMM scripts
Moderator: chmgr, John Legato, petrella
107 709
Re: Charmm c40b1 g09 inter...
(jacquez88) - 03/09/17 10:33 AM
Bug Reports & Fixes
submit or review bug reports and bug fixes
191 549
Re: convert small molecule...
(rmv) - 07/14/17 11:49 AM
Meetings & Events
Announce or comment on meetings and events
Moderator: hlwood, John Legato, rmv, wxw
91 151
Q-Chem User Workshop at Sa...
(Zhi-Qiang You) - 03/06/17 05:31 PM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, John Legato, rmv
84 91
Two PostDocs in Theor/Comp...
(danN) - 06/05/17 06:21 PM
CHARMM Course
CHARMM Course (incomplete)
Moderator: BRBrooks, hlwood, John Legato, tim
25 47
can i have a lecture notes...
(zana) - 01/17/11 09:11 PM
Suggestions and Requests (1 viewing)
suggest new features for CHARMM or this website
Moderator: chmgr, John Legato, lennart
25 80
Re: Free CHARMM
(rossi) - 04/21/17 07:43 AM
Forum News and Announcements
Notices about www.charmm.org and these forums
Moderator: chmgr, John Legato, pastor, tim
25 56
Forums updated to UBBThrea...
(tim) - 12/18/13 01:21 PM