User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (3 viewing)
scripting; reading & writing files
Moderator: lennart
1905 8134
Re: random molecular-repla...
(lennart) - 05/27/15 10:19 AM
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks
703 2923
Re: Problem with "CON...
(lennart) - 05/12/15 06:51 AM
Parameter Set Discussion (3 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr
1257 5817
Re: three-site gas model
(Aniko Labas) - 05/20/15 01:49 PM
Molecular Dynamics (1 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, wxw
1488 6869
Re: periodic boundary cond...
(lennart) - Yesterday at 01:33 PM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks
381 1510
Re: NMA, PED and per-resid...
(rmv) - 02/18/15 09:12 PM
Installation and Testing (4 viewing)
compilation, testing, execution
Moderator: chmgr, lennart
669 3234
Re: installation error wit...
(lennart) - 05/15/15 02:57 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
57 204
Re: Melting temperature fo...
(varsha) - 01/29/15 01:04 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
249 796
charge density or electros...
(ioanna) - 04/13/15 09:47 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
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: wonpil
117 642
water thickness
(learner) - 05/15/15 09:25 AM
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderator: charlesbrooks
164 609
Re: Generate pdb files fro...
(slaw) - 12/27/14 03:16 PM
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
103 682
Re: periodic boundary cond...
(rmv) - 05/28/15 11:57 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
Announce or comment on meetings and events
Moderator: hlwood, rmv, wxw
87 146
CHARMM GPU webinar on NVID...
(rmv) - 11/03/14 06:17 PM
Position Openings (1 viewing)
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 (1 viewing)
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