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
01/14/21 04:27 PM
rmv
2,076 8,883
01/14/21 04:27 PM
by rmv
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
01/11/21 04:29 AM
dengwenhao
766 3,181
01/11/21 04:29 AM
by dengwenhao
Parameter Set Discussion (3 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
12/25/20 09:03 PM
AbhiAcharya
1,416 6,420
12/25/20 09:03 PM
by AbhiAcharya
Molecular Dynamics (5 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
1,582 7,276
01/21/21 08:13 PM
by Rakesh
Minimization, Normal modes, Monte Carlo,... (1 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, lennart, rmv
10/23/20 10:40 AM
Allen_123
401 1,583
10/23/20 10:40 AM
by Allen_123
Installation and Testing (3 viewing)
compilation, testing, execution
Moderated by: lennart, rmv
743 3,704
01/14/21 03:49 PM
by rmv
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 (2 viewing)
miscellaneous CHARMM issues
Moderated by: lennart, rmv
229 845
09/24/20 12:41 PM
by cm14sjm
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 (1 viewing)
QM/MM: semi-empirical and ab initio methods
Moderated by: BRBrooks, lennart, rmv
01/15/21 04:46 AM
ErandiUSJP
275 884
01/15/21 04:46 AM
by ErandiUSJP
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
176 760
01/21/21 05:10 PM
by rmv
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
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
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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