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
2009 8581
Re: write center of mass o...
(Anupam) - 10/07/18 02:57 AM
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
736 3062
Re: SSBP boundary radius ?
(vidhya) - 09/11/18 01:43 AM
Parameter Set Discussion (4 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1376 6267
Re: atomsel: writepdb fail...
(lennart) - 09/11/18 05:19 AM
Molecular Dynamics (7 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1551 7135
Re: input file of Free ene...
(rmv) - 10/11/18 03:59 PM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
397 1571
Re: minimization of LATTic...
(rmv) - 04/25/18 01:48 PM
Installation and Testing (3 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
718 3588
Re: command line to run ch...
(rmv) - 08/28/18 07:55 PM
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 (2 viewing)
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
265 859
Re: c37b1 with SCCDFTB - S...
(Ripplet) - 06/26/18 06:37 AM
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 (1 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: John Legato, wonpil
148 715
Re: Protein-Ligand simulat...
(rahulsuresh93) - 08/11/18 02:06 AM
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
176 632
Regarding resuming of gore...
(vipul_tmr99) - 09/03/18 05:57 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 (3 viewing)
post and download CHARMM scripts
Moderator: chmgr, John Legato, petrella
110 732
Re: self-diffusion-coeff.i...
(lennart) - 06/12/18 10:44 AM
Bug Reports & Fixes (1 viewing)
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
91 98
PostDoc position in nuclea...
(robeme) - 08/28/18 10:08 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