User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (1 viewing)
scripting; reading & writing files
Moderator: lennart
1900 8114
Re: ExtendedIO in RTF file...
(rmv) - 02/20/15 12:03 PM
Energy terms, Constraints, Restraints, and Solvation
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks
700 2909
Re: Born radius for Fe
(shane yue) - 09/10/14 02:57 PM
Parameter Set Discussion (6 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr
1247 5764
Re: Difference between cha...
(rmv) - Today at 04:59 PM
Molecular Dynamics (4 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, wxw
1481 6823
domdec_gpu:different cores...
(rmv) - 01/23/15 02:51 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
662 3196
Re: ERROR install c39b1 wi...
(rmv) - 02/04/15 04:33 PM
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 (1 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, rmv
212 787
Re: Different MSD from CO...
(shanKim) - 12/03/14 09:16 PM
General Chemistry Discussions (2 viewing)
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
248 795
Re: Trying to incorporate ...
(pavel) - 11/19/14 12:03 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
108 622
Re: where is DXPE lipid ty...
(jmondal) - Yesterday at 12:42 PM
MMTSB (1 viewing)
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
100 669
Re: bilayer chain tilt
(rmv) - 11/28/14 12:12 PM
Bug Reports & Fixes (1 viewing)
submit or review bug reports and bug fixes
Moderator: BRBrooks, chmgr
180 523
Re: c39b1 fix for SCCDFTB ...
(rmv) - 02/05/15 08:41 PM
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
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
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