User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (1 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
06/17/23 03:53 PM
rmv
2,097 8,974
06/17/23 03:53 PM
by rmv
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
777 3,214
05/11/23 06:24 PM
by rmv
Parameter Set Discussion (3 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
1,442 6,515
06/14/23 03:38 PM
by rmv
Molecular Dynamics (3 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
1,596 7,374
05/27/23 04:10 PM
by rmv
Minimization, Normal modes, Monte Carlo,... (2 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, lennart, rmv
402 1,590
10/07/22 05:43 PM
by Joel Subach
Installation and Testing (2 viewing)
compilation, testing, execution
Moderated by: lennart, rmv
06/20/23 06:56 PM
rmv
754 3,778
06/20/23 06:56 PM
by rmv
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderated by: lennart, rmv
24 153
02/09/23 01:56 PM
by rmv
Other User Discussion and Questions (1 viewing)
miscellaneous CHARMM issues
Moderated by: lennart, rmv
01/10/23 03:56 PM
rmv
232 854
01/10/23 03:56 PM
by rmv
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
285 910
07/24/23 08:11 AM
by SAChemUser
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderated by: hlwood, lennart, rmv
24 58
07/05/23 03:47 PM
by rmv
CHARMM-GUI (1 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderated by: lennart, rmv, wonpil
196 807
07/16/23 06:33 PM
by rmv
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderated by: charlesbrooks, lennart, rmv
08/10/21 06:57 PM
Ashd
178 634
08/10/21 06:57 PM
by Ashd
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 (4 viewing)
post and download CHARMM scripts
Moderated by: lennart, rmv
112 764
04/13/23 07:08 PM
by lennart
Bug Reports & Fixes (1 viewing)
submit or review bug reports and bug fixes
Moderated by: BRBrooks, bucknerj, lennart, rmv
194 564
06/01/22 06:54 PM
by rossi
Meetings & Events
Announce or comment on meetings and events
Moderated by: lennart, rmv
10/19/22 02:32 PM
BRBrooks
99 159
10/19/22 02:32 PM
by BRBrooks
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 (1 viewing)
CHARMM Course (incomplete)
Moderated by: BRBrooks, lennart, rmv
25 47
01/18/11 02:11 AM
by zana
Suggestions and Requests (1 viewing)
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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