User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (2 viewing)
scripting; reading & writing files
Moderator: lennart
1883 8051
Re: Assign grep output to ...
(Sai) - 08/18/14 10:23 AM
Energy terms, Constraints, Restraints, and Solvation
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks
699 2906
Re: Energy for each block
(lennart) - Today at 09:35 AM
Parameter Set Discussion (2 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr
1222 5654
Re: Charge on new taurine ...
(Kenno) - 08/19/14 02:56 PM
Molecular Dynamics
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, wxw
1465 6751
Re: equilibration and prod...
(Yong Mao) - 08/16/14 10:10 PM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks
376 1498
Re: Molvib input: Fortran ...
(chemist) - 07/20/14 06:39 PM
Installation and Testing (1 viewing)
compilation, testing, execution
Moderator: chmgr, lennart
647 3125
Re: setenv install error ...
(Kenno) - Today at 11:54 AM
Performance and Benchmarking (1 viewing)
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: lennart, rmv
9 109
Re: openmm installation wi...
(AmitRoy) - 08/13/14 03:00 PM
Other User Discussion and Questions (2 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, rmv
210 768
Re: Interfacing CHARMM36 M...
(tim) - 08/18/14 08:11 PM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, rmv
56 201
Re: Trajectory Precision
(rmv) - 05/14/14 01:53 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
248 790
How To do QM/MM NEB calcul...
(sats) - 07/15/14 04:53 AM
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderator: hlwood, tim
20 53
Re: CHARMMing and CHARMMtu...
(tim) - 04/30/14 10:53 PM
CHARMM-GUI (1 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: wonpil
95 581
PAGE FF job failed
(albumns) - 07/22/14 03:05 AM
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderator: charlesbrooks
163 604
Re: MMTSB with CHARMM36
(jeebu) - 06/11/14 07:43 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 (1 viewing)
post and download CHARMM scripts
Moderator: chmgr, petrella
99 622
Re: binding free energy of...
(lennart) - 08/12/14 07:14 AM
Bug Reports & Fixes
submit or review bug reports and bug fixes
Moderator: BRBrooks, chmgr
178 509
c39b1 domdec_gpu with gfor...
(rmv) - 08/20/14 06:41 PM
Meetings & Events
Announce or comment on meetings and events
Moderator: hlwood, rmv, wxw
86 145
LCB weekly seminar 2014-20...
(wxw) - 07/22/14 03:49 PM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, rmv
76 89
Charmm tutor
(asd) - 3 minutes 21 seconds ago
CHARMM Course (1 viewing)
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 (2 viewing)
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