User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (3 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
1945 8301
Re: mol2 file to RTF file
(lennart) - 01/08/17 04:11 AM
Energy terms, Constraints, Restraints, and Solvation
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
723 2995
Re: Surface too low error ...
(rmv) - Today at 11:23 AM
Parameter Set Discussion (7 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1332 6103
Re: VMD fftk of isothiocya...
(rmv) - Yesterday at 02:19 PM
Molecular Dynamics (5 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1523 7016
Re: PBC setup with TIP4P w...
(Aniko Labas) - 01/16/17 10:15 AM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
391 1550
Re: Vibran module of Charm...
(lennart) - 12/15/16 03:23 PM
Installation and Testing (4 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
698 3416
Re: Installation with QT o...
(simond) - 01/15/17 08:10 AM
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
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
259 835
Re: Linking Gamess-US with...
(rmv) - 12/05/16 04:46 PM
CHARMMing (1 viewing)
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 (2 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: John Legato, wonpil
134 684
Re: Quick MD Simulation cn...
(kastner) - Yesterday at 07:32 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 (1 viewing)
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
106 705
implicit solvent for Aceto...
(Hem@1) - 12/31/16 01:35 AM
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