User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (3 viewing)
scripting; reading & writing files
Moderated by: John Legato, lennart
05/28/20 05:46 PM
rmv
2,051 8,795
05/28/20 05:46 PM
by rmv
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderated by: BRBrooks, John Legato
05/07/20 07:45 AM
jamesmao
761 3,155
05/07/20 07:45 AM
by jamesmao
Parameter Set Discussion (2 viewing)
topology & parameter files; adding molecules
Moderated by: alex, chmgr, John Legato
1,407 6,385
05/06/20 02:49 PM
by rmv
Molecular Dynamics
Running MD & LD, trajectory analysis, ...
Moderated by: BRBrooks, John Legato, wxw
1,570 7,213
05/19/20 02:39 PM
by rmv
Minimization, Normal modes, Monte Carlo,... (1 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderated by: BRBrooks, John Legato
05/21/20 05:09 PM
hedderic
399 1,578
05/21/20 05:09 PM
by hedderic
Installation and Testing (2 viewing)
compilation, testing, execution
Moderated by: chmgr, John Legato, lennart
739 3,683
05/14/20 09:24 AM
by lennart
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderated by: John Legato, 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: 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
63 230
04/21/20 03:49 PM
by rmv
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, 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 (1 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderated by: John Legato, wonpil
05/12/20 08:28 AM
Michael Robinson
169 749
05/12/20 08:28 AM
by Michael Robinson
MMTSB (1 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 (1 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
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
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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