User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (10 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
1949 8310
Re: Modeling constraints d...
(Donquixote5) - 03/16/17 09:37 AM
Energy terms, Constraints, Restraints, and Solvation
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
724 3000
Re: Question about Simulat...
(lennart) - 02/16/17 04:38 AM
Parameter Set Discussion (5 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1338 6144
Re: Parameter File Questio...
(rmv) - 03/07/17 01:00 PM
Molecular Dynamics (7 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1523 7019
Re: Measuring Tilt Angle
(nguros) - 02/24/17 05:47 PM
Minimization, Normal modes, Monte Carlo,... (2 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
392 1552
Re: QM/MM energy minimzati...
(rmv) - 03/14/17 02:24 PM
Installation and Testing (2 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
702 3458
Re: Compilation em64t DOMD...
(rmv) - 02/17/17 04:17 PM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: John Legato, lennart, rmv
17 130
DOMDEC_GPU bugfixes
(rmv) - 02/14/17 08:58 PM
Other User Discussion and Questions (1 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
222 816
Re: free charmm: no output
(lennart) - 02/14/17 03:47 PM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, John Legato, rmv
60 217
Free energy of alchemical ...
(abhi) - 01/06/17 06:31 AM
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
Moderator: BRBrooks, John Legato
261 838
Re: charge density or elec...
(syjohn) - 03/21/17 02:14 PM
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderator: hlwood, John Legato, tim
23 56
Keeping protein rigid duri...
(KKuder) - 11/10/16 04:39 AM
CHARMM-GUI (2 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: John Legato, wonpil
135 689
Re: Quick MD Simulation cn...
(rmv) - 02/02/17 12:53 PM
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
171 623
How can I download MMTSB p...
(Sang Jin Lee) - 11/21/16 05:22 AM
Accelrys
Using CHARMM or CHARMm with Accelrys products
Moderator: BRBrooks, John Legato
58 161
Re: how to calculate parti...
(Ken) - 01/20/14 03:10 PM
CHARMM Community
Resources
  Forums Threads Posts Last Post
Script Archive
post and download CHARMM scripts
Moderator: chmgr, John Legato, petrella
107 709
Re: Charmm c40b1 g09 inter...
(jacquez88) - 03/09/17 10:33 AM
Bug Reports & Fixes
submit or review bug reports and bug fixes
189 546
Re: c41b1 does not write ....
(lennart) - 03/13/17 09:21 AM
Meetings & Events
Announce or comment on meetings and events
Moderator: hlwood, John Legato, rmv, wxw
91 151
Q-Chem User Workshop at Sa...
(Zhi-Qiang You) - 03/06/17 05:31 PM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, John Legato, rmv
83 90
Postdoc Position in Comp. ...
(ERM_uconn) - Today at 03:08 PM
CHARMM Course
CHARMM Course (incomplete)
Moderator: BRBrooks, hlwood, John Legato, tim
25 47
can i have a lecture notes...
(zana) - 01/17/11 09:11 PM
Suggestions and Requests
suggest new features for CHARMM or this website
Moderator: chmgr, John Legato, lennart
24 76
Re: Search function broken
(rmv) - 07/17/14 01:49 PM
Forum News and Announcements (1 viewing)
Notices about www.charmm.org and these forums
Moderator: chmgr, John Legato, pastor, tim
25 56
Forums updated to UBBThrea...
(tim) - 12/18/13 01:21 PM