User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (1 viewing)
scripting; reading & writing files
Moderator: lennart
1903 8130
Re: Spatial Distribution c...
(lennart) - 04/06/15 03:32 AM
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks
701 2912
Re: Solvating polymer in T...
(lennart) - 03/24/15 03:38 AM
Parameter Set Discussion (1 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr
1252 5786
Re: CGenFF str file
(lennart) - Yesterday at 02:49 AM
Molecular Dynamics (2 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, wxw
1485 6852
Re: Atom type missing in C...
(rmv) - 04/08/15 06:05 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
compilation, testing, execution
Moderator: chmgr, lennart
668 3230
Re: c40a2 c++ compilation ...
(rmv) - 04/09/15 06:13 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
miscellaneous CHARMM issues
Moderator: chmgr, rmv
212 787
Re: Different MSD from CO...
(shanKim) - 12/03/14 09:16 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 (1 viewing)
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 (1 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: wonpil
115 629
Using CHARMM-GUI parameter...
(atyagi) - 04/13/15 07:38 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
101 670
Tcl Proc for CHARMM crd wr...
(mgleed) - 04/10/15 06:05 PM
Bug Reports & Fixes
submit or review bug reports and bug fixes
Moderator: BRBrooks, chmgr
182 525
c39b1 - bug with repdstr a...
(F.Villemot) - 03/27/15 04:59 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