User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (2 viewing)
scripting; reading & writing files
Moderator: lennart
1879 8038
Re: error while creating p...
(Kenno) - 07/17/14 12:06 PM
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks
699 2902
sum of per-residue mmpbsa ...
(lynnwaters) - 07/16/14 03:22 PM
Parameter Set Discussion (5 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr
1219 5631
Re: Optimisation of Phosph...
(Kenno) - 07/14/14 02:09 PM
Molecular Dynamics (1 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, wxw
1462 6734
Re: charmm scripts for cus...
(conorp) - 07/22/14 02:33 PM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks
376 1498
Re: Molvib input: Fortran ...
(chemist) - 07/20/14 06:39 PM
Installation and Testing
compilation, testing, execution
Moderator: chmgr, lennart
643 3110
Re: Compiling CHARMM to Ut...
(physchem) - Yesterday at 02:45 PM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: lennart, rmv
8 104
Re: openmm protein water c...
(rmv) - 04/10/14 02:18 PM
Other User Discussion and Questions (1 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, rmv
209 755
Re: Multiple Time Scaled M...
(physchem) - 07/18/14 03:38 PM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, rmv
56 201
Re: Trajectory Precision
(rmv) - 05/14/14 01:53 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
248 790
How To do QM/MM NEB calcul...
(sats) - 07/15/14 04:53 AM
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderator: hlwood, tim
20 53
Re: CHARMMing and CHARMMtu...
(tim) - 04/30/14 10:53 PM
CHARMM-GUI
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: wonpil
95 581
PAGE FF job failed
(albumns) - 07/22/14 03:05 AM
MMTSB (1 viewing)
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderator: charlesbrooks
163 604
Re: MMTSB with CHARMM36
(jeebu) - 06/11/14 07:43 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 (1 viewing)
post and download CHARMM scripts
Moderator: chmgr, petrella
98 616
charmm scripts for custom ...
(conorp) - 07/19/14 09:34 PM
Bug Reports & Fixes
submit or review bug reports and bug fixes
Moderator: BRBrooks, chmgr
177 508
Bug with REPDSTR + images
(tim) - 10/31/13 02:30 PM
Meetings & Events
Announce or comment on meetings and events
Moderator: hlwood, rmv, wxw
86 145
LCB weekly seminar 2014-20...
(wxw) - 07/22/14 03:49 PM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, rmv
74 87
Re: Urgent: Trainer Wanted...
(rmv) - 06/13/14 09:37 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