User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (5 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
2027 8704
Re: Langevin thermostat
(rmv) - Today at 10:46 AM
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
742 3087
Re: Fix conformation while...
(rmv) - 03/21/19 05:58 PM
Parameter Set Discussion (4 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1386 6305
Parameters for Dimethylsul...
(Aravinda) - 04/17/19 10:28 AM
Molecular Dynamics (6 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1555 7158
Re: The new .psf file can ...
(rmv) - 03/13/19 10:41 AM
Minimization, Normal modes, Monte Carlo,... (1 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
398 1573
Re: pca data projection pr...
(rmv) - 01/03/19 11:55 AM
Installation and Testing (1 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
728 3632
Warning in gnu_M.log
(SNOW001) - 02/25/19 03:18 AM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: John Legato, lennart, rmv
20 139
Re: charmm eef1 implicit m...
(SNOW001) - 03/05/19 09:41 PM
Other User Discussion and Questions (1 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
228 843
Re: Charmm in Ubuntu can n...
(rmv) - 01/12/19 10:48 AM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, John Legato, rmv
61 221
Re: question about point s...
(rmv) - 12/31/17 01:57 PM
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
Moderator: BRBrooks, John Legato
266 860
QM-MM electrostatic force
(inakollu) - 03/27/19 11:02 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
154 723
concentration of ions when...
(Jordi Bujons) - 03/19/19 09:29 AM
MMTSB (1 viewing)
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
176 632
Regarding resuming of gore...
(vipul_tmr99) - 09/03/18 05:57 PM
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 (1 viewing)
post and download CHARMM scripts
Moderator: chmgr, John Legato, petrella
110 745
Re: read-watbox.str
(tyrion_jj) - 03/21/19 09:39 AM
Bug Reports & Fixes
submit or review bug reports and bug fixes
191 550
Re: Patch files
(bucknerj) - 10/19/18 05:22 PM
Meetings & Events
Announce or comment on meetings and events
Moderator: hlwood, John Legato, rmv, wxw
93 153
LCB weekly seminar 2018~20...
(Ruben) - 10/17/18 04:32 PM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, John Legato, rmv
95 102
Research Programmer for VM...
(Joao V Ribeiro) - 03/12/19 02:19 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