User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (16 viewing)
scripting; reading & writing files
Moderated by: John Legato, lennart
04/10/20 12:40 PM
themosterik
2,047 8,777
04/10/20 12:40 PM
by themosterik
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, John Legato
12/19/19 02:38 AM
rmv
759 3,151
12/19/19 02:38 AM
by rmv
Parameter Set Discussion (14 viewing)
topology & parameter files; adding molecules
Moderated by: alex, chmgr, John Legato
1,403 6,374
02/03/20 02:25 PM
by lennart
Molecular Dynamics (14 viewing)
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, John Legato, wxw
04/08/20 01:50 AM
rmv
1,569 7,207
04/08/20 01:50 AM
by rmv
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, John Legato
01/03/19 04:55 PM
rmv
398 1,573
01/03/19 04:55 PM
by rmv
Installation and Testing (2 viewing)
compilation, testing, execution
Moderated by: chmgr, John Legato, lennart
737 3,672
02/28/20 09:03 PM
by rmv
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderated by: John Legato, lennart, rmv
11/20/19 06:27 AM
jamesmao
21 147
11/20/19 06:27 AM
by jamesmao
Other User Discussion and Questions (1 viewing)
miscellaneous CHARMM issues
Moderated by: chmgr, John Legato, rmv
05/16/19 05:05 PM
Antoniel Gomes
228 844
05/16/19 05:05 PM
by Antoniel Gomes
General Chemistry Discussions
more general computational chemistry issues
Moderated by: hlwood, John Legato, rmv
04/09/20 03:26 PM
rmv
62 225
04/09/20 03:26 PM
by rmv
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, John Legato
12/12/19 08:26 PM
bnumn
270 871
12/12/19 08:26 PM
by bnumn
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderated by: hlwood, John Legato, tim
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: John Legato, wonpil
04/04/20 05:01 PM
Cesar MillanPach
168 747
04/04/20 05:01 PM
by Cesar MillanPach
MMTSB (2 viewing)
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderated by: charlesbrooks, John Legato
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, John Legato
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: chmgr, John Legato, petrella
12/02/19 09:45 PM
rmv
110 749
12/02/19 09:45 PM
by rmv
Bug Reports & Fixes (1 viewing)
submit or review bug reports and bug fixes
03/18/20 03:12 PM
bucknerj
192 554
03/18/20 03:12 PM
by bucknerj
Meetings & Events (2 viewing)
Announce or comment on meetings and events
Moderated by: hlwood, John Legato, rmv, wxw
02/27/20 12:38 AM
Prabhu Raman
95 155
02/27/20 12:38 AM
by Prabhu Raman
Position Openings
seek or advertise open positions or collaborations
Moderated by: hlwood, John Legato, 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, hlwood, John Legato, tim
25 47
01/18/11 02:11 AM
by zana
Suggestions and Requests
suggest new features for CHARMM or this website
Moderated by: chmgr, John Legato, lennart
04/21/17 11:43 AM
rossi
25 80
04/21/17 11:43 AM
by rossi
Forum News and Announcements
Notices about www.charmm.org and these forums
Moderated by: chmgr, John Legato, pastor, tim
25 56
12/18/13 06:21 PM
by tim
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