User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (4 viewing)
scripting; reading & writing files
Moderated by: lennart, rmv
11/26/22 04:53 PM
Junbao
2,092 8,941
11/26/22 04:53 PM
by Junbao
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
11/15/22 06:45 PM
ca4930
775 3,210
11/15/22 06:45 PM
by ca4930
Parameter Set Discussion (1 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
11/18/22 12:04 PM
clarexiong
1,437 6,497
11/18/22 12:04 PM
by clarexiong
Molecular Dynamics (4 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
11/22/22 12:58 PM
Johan
1,590 7,350
11/22/22 12:58 PM
by Johan
Minimization, Normal modes, Monte Carlo,... (1 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
compilation, testing, execution
Moderated by: lennart, rmv
11/15/22 01:59 PM
Rajarshi Roy
750 3,765
11/15/22 01:59 PM
by Rajarshi Roy
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
miscellaneous CHARMM issues
Moderated by: lennart, rmv
11/04/21 04:32 PM
rmv
231 852
11/04/21 04:32 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
08/19/22 09:46 PM
lennart
284 903
08/19/22 09:46 PM
by lennart
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
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderated by: lennart, rmv, wonpil
11/28/22 03:15 PM
lennart
191 789
11/28/22 03:15 PM
by lennart
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 (2 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
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
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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