User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (8 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
1942 8294
Re: Rotation RMS of a prot...
(lennart) - 11/23/16 02:04 AM
Energy terms, Constraints, Restraints, and Solvation (5 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
718 2980
Re: Adding an energy term ...
(lennart) - Today at 03:01 AM
Parameter Set Discussion (5 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1327 6080
Re: Pyridoxal 5' phosphate...
(rmv) - Yesterday at 11:13 AM
Molecular Dynamics (9 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1517 6991
Re: Problem in TMD
(lennart) - 11/28/16 04:08 PM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
390 1548
Re: Minimization with bloc...
(RobArbon) - 09/02/16 06:57 AM
Installation and Testing (3 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
698 3410
Re: Installation with QT o...
(milan) - Yesterday at 05:44 PM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: John Legato, lennart, rmv
16 129
Re: Targeted molecular dyn...
(sziad54) - 11/17/16 03:57 AM
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
219 809
Re: Usersb.src and charmm ...
(rmv) - 09/29/16 05:41 PM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, John Legato, rmv
59 216
Re: Preferential binding c...
(varsha) - 04/25/16 11:15 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
259 835
Re: Linking Gamess-US with...
(rmv) - Yesterday at 04:46 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 (1 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: John Legato, wonpil
131 675
ERROR when running GUI equ...
(kastner) - 11/26/16 06:12 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 (1 viewing)
post and download CHARMM scripts
Moderator: chmgr, John Legato, petrella
104 700
Umbrella Sampling using CH...
(SKJ) - 11/17/16 10:28 PM
Bug Reports & Fixes (1 viewing)
submit or review bug reports and bug fixes
187 539
CONSHELIX conflict with MM...
(rmv) - 07/11/16 05:12 PM
Meetings & Events
Announce or comment on meetings and events
Moderator: hlwood, John Legato, rmv, wxw
90 150
LCB weekly seminar 2016~20...
(wxw) - 08/30/16 11:05 AM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, John Legato, rmv
81 88
PhD positions/University o...
(noskov) - 11/03/16 01:58 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
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