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
2,064 8,830
08/14/20 02:45 PM
by rmv
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
06/24/20 06:15 AM
lin1209
764 3,173
06/24/20 06:15 AM
by lin1209
Parameter Set Discussion (8 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
08/12/20 01:38 PM
AnnaBkmn
1,413 6,415
08/12/20 01:38 PM
by AnnaBkmn
Molecular Dynamics (2 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
07/15/20 08:05 AM
Corey Taylor
1,574 7,239
07/15/20 08:05 AM
by Corey Taylor
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, lennart, rmv
07/10/20 04:26 PM
rmv
400 1,582
07/10/20 04:26 PM
by rmv
Installation and Testing
compilation, testing, execution
Moderated by: lennart, rmv
739 3,683
05/14/20 09:24 AM
by lennart
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
05/16/19 05:05 PM
Antoniel Gomes
228 844
05/16/19 05:05 PM
by Antoniel Gomes
General Chemistry Discussions (1 viewing)
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 (1 viewing)
QM/MM: semi-empirical and ab initio methods
Moderated by: BRBrooks, lennart, rmv
08/12/20 08:59 AM
Corey Taylor
274 883
08/12/20 08:59 AM
by Corey Taylor
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 (1 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderated by: lennart, rmv, wonpil
173 753
08/13/20 04:35 PM
by Amo1997
MMTSB (1 viewing)
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderated by: charlesbrooks, lennart, rmv
09/03/18 09:57 PM
vipul_tmr99
176 632
09/03/18 09:57 PM
by vipul_tmr99
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 (1 viewing)
post and download CHARMM scripts
Moderated by: lennart, rmv
110 752
07/05/20 07:14 PM
by lqz
Bug Reports & Fixes
submit or review bug reports and bug fixes
Moderated by: BRBrooks, bucknerj, lennart, rmv
03/18/20 03:12 PM
bucknerj
192 554
03/18/20 03:12 PM
by bucknerj
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 (1 viewing)
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
04/21/17 11:43 AM
rossi
25 80
04/21/17 11:43 AM
by rossi
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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