User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (5 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
07/20/21 06:00 PM
rmv
2,081 8,896
07/20/21 06:00 PM
by rmv
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
770 3,192
04/12/21 03:53 PM
by rmv
Parameter Set Discussion (8 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
07/24/21 01:11 AM
an_a
1,427 6,457
07/24/21 01:11 AM
by an_a
Molecular Dynamics (6 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,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, lennart, rmv
401 1,589
06/08/21 08:38 PM
by HBfrindle
Installation and Testing
compilation, testing, execution
Moderated by: lennart, rmv
07/13/21 01:44 PM
mspichty
746 3,721
07/13/21 01:44 PM
by mspichty
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
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 (1 viewing)
CHARMMing Web interface: http://www.charmming.org
Moderated by: hlwood, lennart, rmv
23 56
11/10/16 09:39 AM
by KKuder
CHARMM-GUI (2 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderated by: lennart, rmv, wonpil
179 771
03/29/21 01:39 PM
by cqcqxq
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderated by: charlesbrooks, lennart, rmv
177 633
06/24/21 09:20 PM
by Ashd
Accelrys (1 viewing)
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
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
12/17/20 09:27 PM
rmv
193 555
12/17/20 09:27 PM
by rmv
Meetings & Events
Announce or comment on meetings and events
Moderated by: lennart, rmv
07/27/20 05:26 PM
Ruben
96 156
07/27/20 05:26 PM
by Ruben
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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