User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (2 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
09/16/21 01:28 AM
rmv
2,084 8,911
09/16/21 01:28 AM
by rmv
Energy terms, Constraints, Restraints, and Solvation (2 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
771 3,201
08/31/21 11:04 PM
by ASmittie
Parameter Set Discussion (4 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
09/23/21 09:15 PM
rmv
1,431 6,469
09/23/21 09:15 PM
by rmv
Molecular Dynamics (5 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
1,584 7,290
06/03/21 05:49 PM
by lennart
Minimization, Normal modes, Monte Carlo,... (2 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, lennart, rmv
402 1,591
08/06/21 03:57 PM
by rmv
Installation and Testing (3 viewing)
compilation, testing, execution
Moderated by: lennart, rmv
09/23/21 02:05 PM
Noah
746 3,721
09/23/21 02:05 PM
by Noah
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderated by: lennart, rmv
04/24/20 04:56 AM
jamesmao
23 150
04/24/20 04:56 AM
by jamesmao
Other User Discussion and Questions (1 viewing)
miscellaneous CHARMM issues
Moderated by: lennart, rmv
02/26/21 05:34 PM
ErandiUSJP
230 850
02/26/21 05:34 PM
by ErandiUSJP
General Chemistry Discussions
more general computational chemistry issues
Moderated by: lennart, rmv
64 231
07/16/20 04:55 PM
by cm14sjm
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
Moderated by: BRBrooks, lennart, rmv
280 896
06/08/21 08:38 PM
by HBfrindle
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderated by: hlwood, lennart, rmv
23 56
11/10/16 09:39 AM
by KKuder
CHARMM-GUI
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderated by: lennart, rmv, wonpil
07/27/21 11:04 PM
yarasayed
183 776
07/27/21 11:04 PM
by yarasayed
MMTSB (2 viewing)
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderated by: charlesbrooks, lennart, rmv
08/10/21 06:57 PM
Ashd
178 634
08/10/21 06:57 PM
by Ashd
Accelrys
Using CHARMM or CHARMm with Accelrys products
Moderated by: BRBrooks, lennart, rmv
58 161
01/20/14 08:10 PM
by Ken
CHARMM Community
Resources
  Forums Threads Posts Last Post
Script Archive (2 viewing)
post and download CHARMM scripts
Moderated by: lennart, rmv
04/13/21 05:00 PM
rossi
111 754
04/13/21 05:00 PM
by rossi
Bug Reports & Fixes
submit or review bug reports and bug fixes
Moderated by: BRBrooks, bucknerj, lennart, rmv
09/17/21 02:19 PM
bucknerj
193 556
09/17/21 02:19 PM
by bucknerj
Meetings & Events
Announce or comment on meetings and events
Moderated by: lennart, rmv
09/15/21 11:22 PM
rmv
97 157
09/15/21 11:22 PM
by rmv
Position Openings
seek or advertise open positions or collaborations
Moderated by: lennart, rmv
03/12/19 06:19 PM
Joao V Ribeiro
95 102
03/12/19 06:19 PM
by Joao V Ribeiro
CHARMM Course
CHARMM Course (incomplete)
Moderated by: BRBrooks, lennart, rmv
25 47
01/18/11 02:11 AM
by zana
Suggestions and Requests
suggest new features for CHARMM or this website
Moderated by: lennart, rmv
12/16/20 01:03 AM
jamesmao
26 83
12/16/20 01:03 AM
by jamesmao
Forum News and Announcements
Notices about www.charmm.org and these forums
Moderated by: lennart, pastor, rmv
25 56
12/18/13 06:21 PM
by tim
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