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User Discussion & Questions
CHARMM usage
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Setup, I/O, and Basic questions
(9 viewing)
scripting; reading & writing files
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2,076
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8,883
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02/03/21 08:05 PM
by akash
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Energy terms, Constraints, Restraints, and Solvation
(4 viewing)
Potential energy functions, implicit solvent, ...
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770
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3,192
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04/12/21 03:53 PM
by rmv
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Parameter Set Discussion
(2 viewing)
topology & parameter files; adding molecules
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1,421
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6,436
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02/25/21 08:05 PM
by rmv
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Molecular Dynamics
(7 viewing)
Running MD & LD, trajectory analysis, ...
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1,583
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7,283
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03/17/21 01:08 AM
by rmv
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Minimization, Normal modes, Monte Carlo,...
(3 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
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401
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1,589
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04/19/21 11:04 PM
by rmv
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Installation and Testing
(3 viewing)
compilation, testing, execution
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745
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3,720
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04/01/21 07:41 AM
by moth
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Performance and Benchmarking
Improving performance; DOMDEC, OpenMM, LOOKUP, list generation, ...
04/24/20 04:56 AM
jamesmao
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23
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150
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04/24/20 04:56 AM
by jamesmao
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Other User Discussion and Questions
miscellaneous CHARMM issues
02/26/21 05:34 PM
ErandiUSJP
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230
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850
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02/26/21 05:34 PM
by ErandiUSJP
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General Chemistry Discussions
more general computational chemistry issues
07/16/20 04:55 PM
cm14sjm
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64
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231
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07/16/20 04:55 PM
by cm14sjm
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CHARMM Interfaces
Programs or web apps connected to CHARMM
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QM/MM Discussion and Questions
(1 viewing)
QM/MM: semi-empirical and ab initio methods
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279
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894
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04/09/21 08:08 PM
by bnumn
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CHARMMing
CHARMMing Web interface: http://www.charmming.org
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23
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56
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11/10/16 09:39 AM
by KKuder
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CHARMM-GUI
(3 viewing)
CHARMM-GUI web interface: http://www.charmm-gui.org
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179
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771
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03/29/21 01:39 PM
by cqcqxq
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MMTSB
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
09/03/18 09:57 PM
vipul_tmr99
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176
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632
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09/03/18 09:57 PM
by vipul_tmr99
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Accelrys
Using CHARMM or CHARMm with Accelrys products
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58
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161
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01/20/14 08:10 PM
by Ken
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CHARMM Community
Resources
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Script Archive
(2 viewing)
post and download CHARMM scripts
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111
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754
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04/13/21 05:00 PM
by rossi
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Bug Reports & Fixes
submit or review bug reports and bug fixes
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193
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555
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12/17/20 09:27 PM
by rmv
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Meetings & Events
Announce or comment on meetings and events
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96
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156
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07/27/20 05:26 PM
by Ruben
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Position Openings
seek or advertise open positions or collaborations
03/12/19 06:19 PM
Joao V Ribeiro
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95
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102
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03/12/19 06:19 PM
by Joao V Ribeiro
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CHARMM Course
(1 viewing)
CHARMM Course (incomplete)
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25
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47
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01/18/11 02:11 AM
by zana
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Suggestions and Requests
suggest new features for CHARMM or this website
12/16/20 01:03 AM
jamesmao
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26
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83
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12/16/20 01:03 AM
by jamesmao
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Forum News and Announcements
Notices about www.charmm.org and these forums
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25
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56
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12/18/13 06:21 PM
by tim
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