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User Discussion & Questions
CHARMM usage
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Setup, I/O, and Basic questions
(6 viewing)
scripting; reading & writing files
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2,090
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8,931
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05/14/22 06:12 PM
by rmv
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Energy terms, Constraints, Restraints, and Solvation
(1 viewing)
Potential energy functions, implicit solvent, ...
04/21/22 08:57 AM
lennart
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773
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3,205
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04/21/22 08:57 AM
by lennart
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Parameter Set Discussion
(2 viewing)
topology & parameter files; adding molecules
03/21/22 09:47 PM
martina8
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1,433
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6,474
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03/21/22 09:47 PM
by martina8
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Molecular Dynamics
(5 viewing)
Running MD & LD, trajectory analysis, ...
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1,588
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7,309
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05/14/22 06:01 PM
by rmv
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Minimization, Normal modes, Monte Carlo,...
(1 viewing)
non-MD based energy methods; minimizers, vibrational modes, MC
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402
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1,591
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08/06/21 03:57 PM
by rmv
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Installation and Testing
(2 viewing)
compilation, testing, execution
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749
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3,754
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01/31/22 10:00 PM
by rossi
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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
(1 viewing)
miscellaneous CHARMM issues
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231
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852
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11/04/21 04:32 PM
by rmv
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General Chemistry Discussions
(1 viewing)
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
QM/MM: semi-empirical and ab initio methods
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283
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901
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01/13/22 05:22 PM
by Alpha
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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
CHARMM-GUI web interface: http://www.charmm-gui.org
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187
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782
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04/25/22 05:37 PM
by rmv
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MMTSB
(1 viewing)
Multiscale Modeling Tools for Structural Biology, http://mmtsb.org
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178
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634
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08/10/21 06:57 PM
by Ashd
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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
(1 viewing)
submit or review bug reports and bug fixes
09/17/21 02:19 PM
bucknerj
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193
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556
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09/17/21 02:19 PM
by bucknerj
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Meetings & Events
Announce or comment on meetings and events
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98
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158
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01/25/22 07:10 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
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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