User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (9 viewing)
scripting; reading & writing files
Moderator: John Legato, lennart
2043 8766
Umbrella sampling reaction...
(vidhya) - 12/06/19 01:59 AM
Energy terms, Constraints, Restraints, and Solvation (3 viewing)
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks, John Legato
758 3147
Re: Segmentation fault err...
(NoviceUser) - 12/06/19 12:52 PM
Parameter Set Discussion (9 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr, John Legato
1401 6370
Re: D-peptides in GROMACS
(lennart) - Yesterday at 05:34 PM
Molecular Dynamics (4 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, John Legato, wxw
1566 7188
D-peptides in GROMACS
(Mohsen) - Yesterday at 03:25 AM
Minimization, Normal modes, Monte Carlo,... (2 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 (1 viewing)
compilation, testing, execution
Moderator: chmgr, John Legato, lennart
736 3670
Compile w/o COLFFT for CRY...
(rmv) - 11/30/19 05:47 PM
Performance and Benchmarking (1 viewing)
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: John Legato, lennart, rmv
21 147
Re: heating using CHARMM/O...
(jamesmao) - 11/20/19 01:27 AM
Other User Discussion and Questions (3 viewing)
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 (1 viewing)
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
269 868
Re: Error in type "br...
(tyrion_jj) - 11/19/19 01:45 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
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: John Legato, wonpil
165 743
upload par and top file fo...
(zzh) - Today at 07:41 AM
MMTSB (1 viewing)
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 (1 viewing)
post and download CHARMM scripts
Moderator: chmgr, John Legato, petrella
110 749
Re: applying crystal symme...
(rmv) - 12/02/19 04:45 PM
Bug Reports & Fixes (1 viewing)
submit or review bug reports and bug fixes
191 552
Re: Patch files
(bucknerj) - 12/06/19 07:50 AM
Meetings & Events (1 viewing)
Announce or comment on meetings and events
Moderator: hlwood, John Legato, rmv, wxw
94 154
LCB weekly seminar 2019--2...
(Ruben) - 09/20/19 02:05 PM
Position Openings
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
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