User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (6 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
1949 8310
Correct implementation of ...
(EArtikis) - 04/24/17 03:20 PM
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
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 (7 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1340 6148
Target data for parameteri...
(jingjieyeo) - 04/23/17 06:24 PM
Molecular Dynamics (5 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1525 7027
Re: cluster analysis
(rmv) - 04/28/17 12:17 PM
Minimization, Normal modes, Monte Carlo,... (3 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 (4 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
19 135
Re: Correct implementation...
(lennart) - 04/25/17 09:29 AM
Other User Discussion and Questions (1 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
224 824
WHAM Free Energy at a High...
(Manori) - 04/20/17 12:06 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
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: John Legato, wonpil
138 692
Use Amber FF with CHARMM-G...
(abrol) - 04/26/17 09:33 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
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
83 90
Postdoc Position in Comp. ...
(ERM_uconn) - 03/23/17 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
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