User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (2 viewing)
scripting; reading & writing files
Moderator: lennart
1912 8165
Re: custom solvent box not...
(Sai) - 08/31/15 10:28 AM
Energy terms, Constraints, Restraints, and Solvation (2 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks
706 2939
Re: implementation of non ...
(lennart) - 08/11/15 02:17 PM
Parameter Set Discussion (5 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr
1270 5872
choice of parameter scans ...
(vgl) - Yesterday at 10:02 PM
Molecular Dynamics (1 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, wxw
1493 6893
Re: ASA_only one trayector...
(rmv) - 08/12/15 03:15 PM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks
383 1526
Re: Quasi harmonic (PCA) a...
(rmv) - 07/10/15 01:28 PM
Installation and Testing (1 viewing)
compilation, testing, execution
Moderator: chmgr, lennart
673 3252
Re: CHARMM GPU installatio...
(lennart) - 08/25/15 11:30 AM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: lennart, rmv
14 123
Re: CHARMM GPU webinar on ...
(rmv) - 02/19/15 03:57 PM
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderator: chmgr, rmv
213 789
Re: Water distribution arr...
(lennart) - 04/27/15 02:19 PM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, rmv
58 208
Re: Calculation of velocit...
(rmv) - 06/01/15 07:02 PM
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
252 802
Re: 5 GHO atoms limit (wit...
(rmv) - 08/05/15 12:59 PM
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderator: hlwood, tim
21 54
CHARMMing down time ca 6-1...
(tim) - 10/10/14 03:30 PM
CHARMM-GUI (1 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: wonpil
118 643
CHARMM-GUI doesn't keep th...
(stefane) - 07/21/15 07:41 AM
MMTSB (1 viewing)
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderator: charlesbrooks
165 610
prot-ligand cluster using ...
(fabrice) - 07/06/15 08:57 AM
Accelrys
Using CHARMM or CHARMm with Accelrys products
Moderator: BRBrooks
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, petrella
104 696
Re: filling a box by placi...
(Sai) - 08/31/15 05:49 PM
Bug Reports & Fixes
submit or review bug reports and bug fixes
Moderator: BRBrooks, bucknerj, chmgr
184 533
Re: Patch files
(bucknerj) - 05/26/15 11:17 AM
Meetings & Events
Announce or comment on meetings and events
Moderator: hlwood, rmv, wxw
88 147
LCB weekly seminar 2015-20...
(wxw) - 06/30/15 01:42 PM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, rmv
77 87
Post-doc position in compu...
(mspichty) - 12/01/14 09:04 AM
CHARMM Course
CHARMM Course (incomplete)
Moderator: BRBrooks, hlwood, 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, lennart
24 76
Re: Search function broken
(rmv) - 07/17/14 01:49 PM
Forum News and Announcements
Notices about www.charmm.org and these forums
Moderator: chmgr, pastor, tim
25 56
Forums updated to UBBThrea...
(tim) - 12/18/13 01:21 PM