User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (4 viewing)
scripting; reading & writing files
Moderator: lennart
1919 8200
Error in setup using CGenF...
(manali) - 01/09/16 06:12 AM
Energy terms, Constraints, Restraints, and Solvation (2 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks
711 2955
Re: Atom sequence in OPLS ...
(rmv) - 12/08/15 11:48 AM
Parameter Set Discussion (4 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr
1298 5972
Re: In-house Parametrizati...
(francescog) - 01/26/16 08:23 AM
Molecular Dynamics (5 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, wxw
1504 6927
Re: same seed but get diff...
(ffss) - 01/29/16 08:55 AM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks
385 1531
Negative Freq got from NMA...
(mxu) - 12/15/15 05:43 PM
Installation and Testing (2 viewing)
compilation, testing, execution
Moderator: chmgr, lennart
682 3296
Re: Compiling a serial mod...
(grofe) - 01/14/16 12:56 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 (2 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, rmv
218 801
force field for copper nan...
(atyagi) - 12/26/15 01:10 AM
General Chemistry Discussions (1 viewing)
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 (1 viewing)
QM/MM: semi-empirical and ab initio methods
Moderator: BRBrooks
253 814
Re: QM/MM <GUKINI> r...
(rmv) - 11/27/15 02:49 PM
CHARMMing (1 viewing)
CHARMMing Web interface: http://www.charmming.org
Moderator: hlwood, tim
22 55
CHARMMing and ProBiS-Ligan...
(tim) - 12/28/15 08:23 PM
CHARMM-GUI (1 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: wonpil
123 656
Re: CHARMM topology and pa...
(lennart) - 02/02/16 03:29 AM
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderator: charlesbrooks
167 615
Re: Hyperchem and Charmm f...
(tammy7) - 01/31/16 03:24 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
104 700
Re: filling a box by placi...
(fairoos) - 10/15/15 04:01 PM
Bug Reports & Fixes
submit or review bug reports and bug fixes
Moderator: BRBrooks, bucknerj, chmgr
186 538
CORREL fix for 8 char time...
(rmv) - 12/07/15 02:58 PM
Meetings & Events
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
79 86
PhD and PostDoc positions
(spooky) - 01/20/16 08:15 PM
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