User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (1 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
1934 8267
Re: rmsd and dist from cor...
(Nadia) - 09/22/16 07:42 AM
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
717 2972
Re: MMFP to put the phosph...
(rmv) - 09/12/16 05:27 PM
Parameter Set Discussion (2 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1322 6066
Re: N6 methyladenosine for...
(lennart) - 09/14/16 10:09 AM
Molecular Dynamics (3 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1515 6987
Overlaps of molecules in f...
(sakula) - 09/20/16 10:55 AM
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
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
695 3402
Re: how to compile charmm ...
(themis) - 09/22/16 08:28 PM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: John Legato, lennart, rmv
15 124
minimum # of domdec cores ...
(rmv) - 07/09/16 02:05 PM
Other User Discussion and Questions (1 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
218 801
force field for copper nan...
(atyagi) - 12/26/15 01:10 AM
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
257 828
QM/MM with boron in QM reg...
(Nadia) - 07/28/16 07:56 AM
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderator: hlwood, John Legato, tim
22 55
CHARMMing and ProBiS-Ligan...
(tim) - 12/28/15 08:23 PM
CHARMM-GUI
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: John Legato, wonpil
130 674
Questions about engineered...
(Xinsheng) - Yesterday at 05:16 AM
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
170 622
MMPB(GB)/SA binding energy...
(sulee) - 08/18/16 10:49 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
104 700
Re: filling a box by placi...
(fairoos) - 10/15/15 04:01 PM
Bug Reports & Fixes
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 (1 viewing)
seek or advertise open positions or collaborations
Moderator: hlwood, John Legato, rmv
80 87
PhD position in Orlando, U...
(Artem) - 02/07/16 09:29 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