User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (1 viewing)
scripting; reading & writing files
Moderator: lennart
1893 8093
Re: Finding a solution to ...
(rmv) - 11/17/14 01:24 PM
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks
700 2909
Re: Born radius for Fe
(shane yue) - 09/10/14 02:57 PM
Parameter Set Discussion (4 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr
1231 5716
Re: generating parameters ...
(yxb) - 11/20/14 09:34 PM
Molecular Dynamics (1 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, wxw
1471 6782
Re: Zn-Cys patch
(nixcharmm) - 11/07/14 04:48 AM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks
378 1501
Re: Contributions of eigen...
(tim) - 09/19/14 02:33 PM
Installation and Testing
compilation, testing, execution
Moderator: chmgr, lennart
656 3160
Re: fortran libreries prob...
(rmv) - 11/21/14 11:27 AM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: lennart, rmv
11 113
CHARMM GPU webinar on NVID...
(rmv) - 11/03/14 06:11 PM
Other User Discussion and Questions (1 viewing)
miscellaneous CHARMM issues
Moderator: chmgr, rmv
211 769
Different MSD from COOR AN...
(jeffrey) - Yesterday at 09:32 PM
General Chemistry Discussions (1 viewing)
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 (1 viewing)
QM/MM: semi-empirical and ab initio methods
Moderator: BRBrooks
248 795
Re: Trying to incorporate ...
(pavel) - 11/19/14 12:03 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
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: wonpil
100 600
No. of lipids in PACE CG b...
(amin) - 11/18/14 04:02 AM
MMTSB (1 viewing)
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderator: charlesbrooks
164 605
Generate pdb files from no...
(Pablo Arantes) - 11/17/14 01:07 PM
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
100 667
Re: bilayer chain tilt
(rmv) - 11/02/14 01:32 PM
Bug Reports & Fixes
submit or review bug reports and bug fixes
Moderator: BRBrooks, chmgr
178 510
Re: c39b1 domdec_gpu
(rmv) - 10/31/14 08:22 PM
Meetings & Events
Announce or comment on meetings and events
Moderator: hlwood, rmv, wxw
87 146
CHARMM GPU webinar on NVID...
(rmv) - 11/03/14 06:17 PM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, rmv
77 90
Postdoc wanted to study pr...
(M_Buck) - 09/02/14 04:47 PM
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
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