User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (5 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
2031 8726
Re: How to keep residues a...
(jtyang) - Yesterday at 09:23 PM
Energy terms, Constraints, Restraints, and Solvation (1 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
745 3093
Re: Fix conformation while...
(ASmittie) - 06/12/19 04:44 PM
Parameter Set Discussion (7 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1388 6315
Re: delete disulfide bond ...
(Binod) - 06/03/19 08:39 AM
Molecular Dynamics (7 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1558 7163
Re: Implicit solvent simul...
(Ashd) - 06/13/19 09:40 PM
Minimization, Normal modes, Monte Carlo,... (1 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks, John Legato
398 1573
Re: pca data projection pr...
(rmv) - 01/03/19 11:55 AM
Installation and Testing (2 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
731 3643
Re: Building CUDA enabled ...
(Sebastian Kraus) - 05/11/19 09:15 AM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: John Legato, lennart, rmv
20 139
Re: charmm eef1 implicit m...
(SNOW001) - 03/05/19 09:41 PM
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderator: chmgr, John Legato, rmv
228 844
Re: coor conv, RHDO and NA...
(Antoniel Gomes) - 05/16/19 01:05 PM
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 (1 viewing)
QM/MM: semi-empirical and ab initio methods
Moderator: BRBrooks, John Legato
266 860
QM-MM electrostatic force
(inakollu) - 03/27/19 11:02 PM
CHARMMing (1 viewing)
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
155 724
Glycan Builder too slow to...
(Loki) - 04/24/19 09:22 PM
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
110 745
Re: read-watbox.str
(tyrion_jj) - 03/21/19 09:39 AM
Bug Reports & Fixes
submit or review bug reports and bug fixes
191 550
Re: Patch files
(bucknerj) - 10/19/18 05:22 PM
Meetings & Events
Announce or comment on meetings and events
Moderator: hlwood, John Legato, rmv, wxw
93 153
LCB weekly seminar 2018~20...
(Ruben) - 10/17/18 04:32 PM
Position Openings (2 viewing)
seek or advertise open positions or collaborations
Moderator: hlwood, John Legato, rmv
95 102
Research Programmer for VM...
(Joao V Ribeiro) - 03/12/19 02:19 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
25 80
Re: Free CHARMM
(rossi) - 04/21/17 07:43 AM
Forum News and Announcements (1 viewing)
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