User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (1 viewing)
scripting; reading & writing files
Moderator: lennart
1871 7988
Re: convertion of xyz coor...
(rmv) - 04/14/14 02:34 PM
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks
693 2859
Re: Positive charmm36 pote...
(Manish Kesherwan) - Yesterday at 01:59 PM
Parameter Set Discussion (1 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr
1205 5537
Re: Parameter file distrib...
(Kenno) - Yesterday at 04:06 PM
Molecular Dynamics (1 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, wxw
1451 6670
Re: Problem with repdstr
(rmv) - Yesterday at 12:11 AM
Minimization, Normal modes, Monte Carlo,... (1 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks
369 1447
Re: output files of DMCO a...
(rmv) - 04/01/14 09:23 PM
Installation and Testing (2 viewing)
compilation, testing, execution
Moderator: chmgr, lennart
637 3081
Re: install error for c38b...
(lennart) - 04/09/14 05:01 AM
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
miscellaneous CHARMM issues
Moderator: chmgr, rmv
206 745
Re: About usere
(mooctopus) - 01/12/14 02:48 AM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, rmv
55 193
Re: translation and rotati...
(varsha) - 01/18/14 08:27 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
245 784
Re: Nonbond data structure...
(rmv) - 04/14/14 02:50 PM
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderator: hlwood, tim
19 51
New version of CHARMMing
(tim) - 01/23/14 03:02 PM
CHARMM-GUI
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: wonpil
90 568
Re: System with two engine...
(Sunhwan) - 04/15/14 12:54 PM
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderator: charlesbrooks
161 592
Re: about restart paramete...
(slaw) - 03/17/14 08:11 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
98 616
Re: EMAP Example scripts
(cmp_fc2) - 11/26/13 09:23 PM
Bug Reports & Fixes (1 viewing)
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
84 140
CADD Symposium, UM Baltimo...
(alex) - Yesterday at 02:59 PM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, rmv
71 81
Research Fellowships
(luke czapla) - 02/11/14 01:24 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
23 71
Re: RSS feeds
(rmv) - 10/17/13 03:47 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