User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (2 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
1973 8442
Re: PSF Generator
(kelmcguir) - 01/15/18 06:15 PM
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
735 3057
Re: RESIDUE NUMBER OVERFLO...
(rmv) - Yesterday at 04:45 PM
Parameter Set Discussion (6 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1359 6210
Re: Glycine CMAP: DRUDE vs...
(JeffC) - 01/19/18 10:30 AM
Molecular Dynamics (3 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1539 7083
Re: process of double-stra...
(rmv) - 01/11/18 11:11 AM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
395 1567
Re: minimization parameter...
(rmv) - 01/18/18 11:28 AM
Installation and Testing
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
709 3490
CHARMM c42b1 installation ...
(rxdcpu) - 11/11/17 11:46 AM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: John Legato, lennart, rmv
19 135
Re: Correct implementation...
(lennart) - 04/25/17 09:29 AM
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
227 837
Re: Segmentation fault in ...
(Colin Bannister) - 01/10/18 05:26 AM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, John Legato, rmv
61 221
Re: question about point s...
(rmv) - 12/31/17 01:57 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, John Legato
264 857
QM/MM Script
(kelmcguir) - 01/10/18 02:12 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
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: John Legato, wonpil
144 706
charmm-gui zinc finger pro...
(ngandhiau) - 11/16/17 11:00 PM
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
173 629
Re: How can I download MMT...
(ymwang) - 12/18/17 12:07 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
post and download CHARMM scripts
Moderator: chmgr, John Legato, petrella
108 724
Re: PDB with 2 segid WZ1 a...
(lennart) - 11/24/17 01:58 AM
Bug Reports & Fixes
submit or review bug reports and bug fixes
191 549
Re: convert small molecule...
(rmv) - 07/14/17 11:49 AM
Meetings & Events
Announce or comment on meetings and events
Moderator: hlwood, John Legato, rmv, wxw
92 152
LCB weekly seminar 2017~20...
(wxw) - 09/05/17 09:59 AM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, John Legato, rmv
85 92
Two PhD Positions in Hambu...
(robeme) - 11/08/17 05:57 AM
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
25 80
Re: Free CHARMM
(rossi) - 04/21/17 07:43 AM
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