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
1962 8374
Re: Scalar to change occup...
(lennart) - Yesterday at 02:35 PM
Energy terms, Constraints, Restraints, and Solvation (4 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
728 3020
Re: About the IPS method i...
(rsakamak) - 06/10/17 08:07 PM
Parameter Set Discussion (12 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1346 6168
NBFIX between SOD and OG2D...
(StevenWang) - 06/26/17 01:04 PM
Molecular Dynamics (7 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1529 7044
Re: a very basic question ...
(rmv) - 06/21/17 01:53 PM
Minimization, Normal modes, Monte Carlo,... (3 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
393 1560
Re: Vibran module of Charm...
(fara) - 06/09/17 11:40 AM
Installation and Testing
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
19 135
Re: Correct implementation...
(lennart) - 04/25/17 09:29 AM
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
224 825
Re: undefined angle style ...
(akv) - 06/15/17 04:43 PM
General Chemistry Discussions (1 viewing)
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
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 (3 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: John Legato, wonpil
139 696
Ligand Binder Scripts: Ext...
(Manori) - 05/09/17 05:36 PM
MMTSB (1 viewing)
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 (2 viewing)
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
190 547
domdec bugfix for domains ...
(rmv) - 04/10/17 03:49 PM
Meetings & Events (1 viewing)
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
84 91
Two PostDocs in Theor/Comp...
(danN) - 06/05/17 06:21 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
25 80
Re: Free CHARMM
(rossi) - 04/21/17 07:43 AM
Forum News and Announcements
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