User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (3 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
07/10/20 04:24 PM
rmv
2,057 8,809
07/10/20 04:24 PM
by rmv
Energy terms, Constraints, Restraints, and Solvation (2 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 (6 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
1,410 6,395
06/12/20 11:02 PM
by rmv
Molecular Dynamics (2 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
07/14/20 08:20 PM
lennart
1,574 7,238
07/14/20 08:20 PM
by lennart
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 (1 viewing)
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
229 845
07/15/20 06:58 AM
by vht
General Chemistry Discussions
more general computational chemistry issues
Moderated by: lennart, rmv
63 230
04/21/20 03:49 PM
by rmv
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
07/06/20 08:31 AM
Corey Taylor
271 872
07/06/20 08:31 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 (2 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderated by: lennart, rmv, wonpil
06/11/20 11:15 AM
rossi
170 750
06/11/20 11:15 AM
by rossi
MMTSB
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
02/27/20 12:38 AM
Prabhu Raman
95 155
02/27/20 12:38 AM
by Prabhu Raman
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
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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