User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions
scripting; reading & writing files
Moderator: lennart
1908 8146
Re: looping error to get s...
(vibhor) - 07/29/15 11:15 AM
Energy terms, Constraints, Restraints, and Solvation (2 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks
705 2930
Re: Using IF and then to d...
(reinhacr) - 06/11/15 10:20 AM
Parameter Set Discussion (2 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr
1264 5853
Re: Breaking rules a mol.i...
(stefane) - 07/29/15 02:41 PM
Molecular Dynamics (4 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, wxw
1491 6888
Re: distance between atoms...
(rmv) - 07/23/15 06:55 PM
Minimization, Normal modes, Monte Carlo,... (1 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks
383 1526
Re: Quasi harmonic (PCA) a...
(rmv) - 07/10/15 01:28 PM
Installation and Testing
compilation, testing, execution
Moderator: chmgr, lennart
671 3243
Re: Installing CHARMM wout...
(rmv) - 07/14/15 11:49 AM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: lennart, rmv
14 123
Re: CHARMM GPU webinar on ...
(rmv) - 02/19/15 03:57 PM
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderator: chmgr, rmv
213 789
Re: Water distribution arr...
(lennart) - 04/27/15 02:19 PM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, rmv
58 208
Re: Calculation of velocit...
(rmv) - 06/01/15 07:02 PM
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
251 800
PERT in CHARMM/GAMESS-US i...
(BeWier) - 07/27/15 03:33 PM
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderator: hlwood, tim
21 54
CHARMMing down time ca 6-1...
(tim) - 10/10/14 03:30 PM
CHARMM-GUI (2 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: wonpil
118 643
CHARMM-GUI doesn't keep th...
(stefane) - 07/21/15 07:41 AM
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderator: charlesbrooks
165 610
prot-ligand cluster using ...
(fabrice) - 07/06/15 08:57 AM
Accelrys
Using CHARMM or CHARMm with Accelrys products
Moderator: BRBrooks
58 161
Re: how to calculate parti...
(Ken) - 01/20/14 03:10 PM
CHARMM Community
Resources
  Forums Threads Posts Last Post
Script Archive
post and download CHARMM scripts
Moderator: chmgr, petrella
104 691
Re: merge-orient-trajector...
(Nixon) - 06/15/15 04:30 AM
Bug Reports & Fixes
submit or review bug reports and bug fixes
Moderator: BRBrooks, bucknerj, chmgr
184 533
Re: Patch files
(bucknerj) - 05/26/15 11:17 AM
Meetings & Events (1 viewing)
Announce or comment on meetings and events
Moderator: hlwood, rmv, wxw
88 147
LCB weekly seminar 2015-20...
(wxw) - 06/30/15 01:42 PM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, rmv
78 91
Post-doc position in compu...
(mspichty) - 12/01/14 09:04 AM
CHARMM Course
CHARMM Course (incomplete)
Moderator: BRBrooks, hlwood, tim
25 47
can i have a lecture notes...
(zana) - 01/17/11 09:11 PM
Suggestions and Requests
suggest new features for CHARMM or this website
Moderator: chmgr, lennart
24 76
Re: Search function broken
(rmv) - 07/17/14 01:49 PM
Forum News and Announcements (1 viewing)
Notices about www.charmm.org and these forums
Moderator: chmgr, pastor, tim
25 56
Forums updated to UBBThrea...
(tim) - 12/18/13 01:21 PM