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A place to post questions about using CHARMM
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Setup, I/O, and Basic questions
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A place for questions regarding the setup of scripts and I/O
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lennart
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Re: dynamics run using seq...
(rmv) -
Today at
03:47 PM
Energy terms, Constraints, Restraints, and Solvation
A place to discuss energy function terms and related topics
Moderator:
BRBrooks
546
2063
Re: how to get the mass of...
(rmv) -
03/09/10
05:07 PM
Parameter Set Discussion
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A place for energy parameters questions and discussions
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alex
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chmgr
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Re: about parameter for su...
(Kenno) -
Yesterday at
10:57 AM
Molecular Dynamics
A place to discuss MD, trajectory analysis, and related methods
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BRBrooks
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wxw
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Re: PBC coordinates saving...
(rmv) -
Today at
02:21 PM
Minimization, Normal modes, Monte Carlo,...
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A place to discuss non-MD based energy methods
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BRBrooks
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Re: general steps of minim...
(rmv) -
02/24/10
12:35 PM
QM/MM Discussion and Questions
A place for QM/MM questions: semi-emperical and ab initio
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BRBrooks
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MCSCF problem with CHARMM/...
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Yesterday at
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Installation and Performance
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A place to discuss compilation, execution, and performance issues
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chmgr
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lennart
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Re: cray XT4 parallel inst...
(dmirij) -
03/06/10
05:09 PM
Other User Discussion and Questions
A place for miscellaneous CHARMM questions
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chmgr
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rmv
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Re: simulation codes
(lennart) -
03/04/10
02:42 AM
General Chemistry Discussions
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Forum to discuss general computational chemistry questions
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hlwood
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rmv
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grand canonical MC
(urbashi) -
02/18/10
04:22 AM
CHARMM Interfaces
Discussions relating to programs connected to CHARMM
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CHARMMing
Discussion of the CHARMMing Web interface: http://www.charmming.org.
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hlwood
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tim
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Re: CHARMMing and Genrtf/a...
(tim) -
02/24/10
12:40 PM
CHARMM-GUI
A place to discuss the CHARMM-GUI interface: http://www.charmm-gui.org
Moderator:
wonpil
10
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Re: "Next Step" ...
(blubbi) -
10/19/09
08:43 AM
MMTSB
(1 viewing)
MMTSB CHARMM interface forum
Moderator:
charlesbrooks
129
397
Re: Exponential temperatur...
(slaw) -
02/02/10
02:25 PM
Insight & Quanta
Discussion related to using CHARMM with Insight or Quanta
Moderator:
BRBrooks
53
128
how I can generate the crd...
(sarvin22) -
09/02/09
08:46 AM
Q-Chem Interface Discussion
Post questions about Q-Chem/CHARMM QM/MM interface here.
Moderator:
hlwood
6
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Re: MD with QM/MM vs. MD w...
(ashley) -
01/15/10
04:11 PM
GAMESS-UK discussion
A place to discuss QM/MM calculations using GAMESS-UK
Moderator:
milan
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sherwood
16
61
Re: Fatal Error using ddik...
(MeMo) -
02/21/09
08:05 PM
CHARMM-CSA
Discussion related to using CHARMM with the Conformational Simulated Annealing (CSA) program
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aroman
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BRBrooks
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CHARMM Community
Forums for the CHARMM community
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Forum News and Announcements
A place for forum news and www.charmm.org announcements
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pastor
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tim
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Re: Update on subscription...
(tim) -
06/07/09
01:32 AM
Bug Reports & Fixes
A place to submit or review bug reports and bug fixes
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BRBrooks
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chmgr
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Re: PME in Parallel c30b1 ...
(rmv) -
02/12/10
01:29 PM
Script Archive
(4 viewing)
A place to post and download CHARMM scripts
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chmgr
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petrella
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Widom insertion script fro...
(lennart) -
03/04/10
05:36 AM
Suggestions and Requests
A place to suggest new features for CHARMM or this website
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chmgr
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lennart
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Re: RSS feeds
(amaynard) -
09/21/09
10:59 AM
CHARMM Course
Place to discuss the CHARMM Course
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BRBrooks
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hlwood
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tim
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Re: Lecture 20 - free ener...
(tim) -
05/17/09
01:19 AM
Position Openings
A place to seek or advertise open positions or collaborations
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hlwood
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rmv
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QSPR Postdoctoral Position
(leo) -
02/18/10
02:11 AM
Meetings & Events
Forum to announce or discuss meetings and events
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hlwood
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rmv
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wxw
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CfP: Workshop on Collabora...
(dgianni) -
01/26/10
02:03 PM
CHARMM Information
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Documentation for version c31b2
This forum contains searchable documentation for CHARMM version c31b2.
103
103
ace.doc
(tim) -
02/23/05
04:52 PM
CHARMM documentation
Searchable documentation for CHARMM version c30b0
Moderator:
BRBrooks
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rmv
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changelog_1.doc
(BRBrooks) -
09/21/03
08:32 PM
FAQs
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alex
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rmv
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Subscription issues
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09/08/05
03:07 PM
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