User Discussion & Questions
CHARMM usage
  Forums Threads Posts Last Post
Setup, I/O, and Basic questions (1 viewing)
scripting; reading & writing files
Moderator: lennart
1932 8244
Re: problem with "coo...
(Ripplet) - 08/28/16 09:35 PM
Energy terms, Constraints, Restraints, and Solvation
Potential energy functions, implicit solvent, ...
Moderator: BRBrooks
716 2966
Re: Patching UREY terms an...
(rmv) - 07/22/16 12:39 PM
Parameter Set Discussion (1 viewing)
topology & parameter files; adding molecules
Moderator: alex, chmgr
1320 6053
Re: Parameters for non-hem...
(rmv) - 08/17/16 08:08 PM
Molecular Dynamics (7 viewing)
Running MD & LD, trajectory analysis, ...
Moderator: BRBrooks, wxw
1511 6976
Re: Fixed atoms move sligh...
(lennart) - 08/10/16 02:24 AM
Minimization, Normal modes, Monte Carlo,...
non-MD based energy methods; minimizers, vibrational modes, MC
Moderator: BRBrooks
390 1547
Re: Minimization with bloc...
(lennart) - 08/29/16 04:32 PM
Installation and Testing (3 viewing)
compilation, testing, execution
Moderator: chmgr, lennart
694 3391
Re: Targeted MD missing fr...
(lennart) - Today at 07:52 AM
Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
Moderator: lennart, rmv
15 124
minimum # of domdec cores ...
(rmv) - 07/09/16 02:05 PM
Other User Discussion and Questions
miscellaneous CHARMM issues
Moderator: chmgr, rmv
218 801
force field for copper nan...
(atyagi) - 12/26/15 01:10 AM
General Chemistry Discussions
more general computational chemistry issues
Moderator: hlwood, rmv
59 216
Re: Preferential binding c...
(varsha) - 04/25/16 11:15 AM
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
257 828
QM/MM with boron in QM reg...
(Nadia) - 07/28/16 07:56 AM
CHARMMing
CHARMMing Web interface: http://www.charmming.org
Moderator: hlwood, tim
22 55
CHARMMing and ProBiS-Ligan...
(tim) - 12/28/15 08:23 PM
CHARMM-GUI
CHARMM-GUI web interface: http://www.charmm-gui.org
Moderator: wonpil
129 673
Building two membrane bila...
(mmahmed) - 08/02/16 04:50 PM
MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
Moderator: charlesbrooks
170 622
MMPB(GB)/SA binding energy...
(sulee) - 08/18/16 10:49 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 (1 viewing)
post and download CHARMM scripts
Moderator: chmgr, petrella
104 700
Re: filling a box by placi...
(fairoos) - 10/15/15 04:01 PM
Bug Reports & Fixes (1 viewing)
submit or review bug reports and bug fixes
Moderator: BRBrooks, bucknerj, chmgr
187 539
CONSHELIX conflict with MM...
(rmv) - 07/11/16 05:12 PM
Meetings & Events (1 viewing)
Announce or comment on meetings and events
Moderator: hlwood, rmv, wxw
90 150
LCB weekly seminar 2016~20...
(wxw) - Yesterday at 11:05 AM
Position Openings
seek or advertise open positions or collaborations
Moderator: hlwood, rmv
80 87
PhD position in Orlando, U...
(Artem) - 02/07/16 09:29 PM
CHARMM Course
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