User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (6 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
06/22/21 06:01 PM
rmv
2,078 8,888
06/22/21 06:01 PM
by rmv
Energy terms, Constraints, Restraints, and Solvation (3 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 (6 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
06/03/21 11:17 PM
Rizal
1,424 6,450
06/03/21 11:17 PM
by Rizal
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,... (4 viewing)
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 (2 viewing)
compilation, testing, execution
Moderated by: lennart, rmv
745 3,720
04/01/21 07:41 AM
by moth
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 (1 viewing)
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 (1 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
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
04/13/21 05:00 PM
rossi
111 754
04/13/21 05:00 PM
by rossi
Bug Reports & Fixes (1 viewing)
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 (1 viewing)
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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