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
05/14/22 06:12 PM
rmv
2,090 8,931
05/14/22 06:12 PM
by rmv
Energy terms, Constraints, Restraints, and Solvation
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, lennart, rmv
04/21/22 08:57 AM
lennart
773 3,205
04/21/22 08:57 AM
by lennart
Parameter Set Discussion (4 viewing)
topology & parameter files; adding molecules
Moderated by: alex, lennart, rmv
03/21/22 09:47 PM
martina8
1,433 6,474
03/21/22 09:47 PM
by martina8
Molecular Dynamics (3 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, lennart, rmv
05/19/22 06:22 PM
txj
1,588 7,310
05/19/22 06:22 PM
by txj
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, lennart, rmv
402 1,591
08/06/21 03:57 PM
by rmv
Installation and Testing
compilation, testing, execution
Moderated by: lennart, rmv
749 3,754
01/31/22 10:00 PM
by rossi
Performance and Benchmarking (2 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 (2 viewing)
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 (2 viewing)
QM/MM: semi-empirical and ab initio methods
Moderated by: BRBrooks, lennart, rmv
283 901
01/13/22 05:22 PM
by Alpha
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 (3 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderated by: lennart, rmv, wonpil
187 782
04/25/22 05:37 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 (3 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
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
01/25/22 07:10 PM
Ruben
98 158
01/25/22 07:10 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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