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A place to post questions about using CHARMM
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Setup, I/O, and Basic questions
A place for questions regarding the setup of scripts and I/O
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lennart
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Re: Equilibration in NPT e...
(rmv) -
09/01/10
12:13 PM
Energy terms, Constraints, Restraints, and Solvation
A place to discuss energy function terms and related topics
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BRBrooks
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Re: To incorporate an ener...
(lennart) -
Today at
04:57 AM
Parameter Set Discussion
(2 viewing)
A place for energy parameters questions and discussions
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alex
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chmgr
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Re: Atom types and initial...
(Manori) -
09/04/10
11:35 PM
Molecular Dynamics
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A place to discuss MD, trajectory analysis, and related methods
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BRBrooks
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wxw
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Constant pH MD
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Yesterday at
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Minimization, Normal modes, Monte Carlo,...
A place to discuss non-MD based energy methods
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BRBrooks
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Re: Store Hessian matrix
(Jun) -
08/24/10
03:26 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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Re: solvation energy
(Kenno) -
08/31/10
01:39 PM
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: Charmm for big systems
(Kenno) -
08/31/10
01:42 PM
Other User Discussion and Questions
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A place for miscellaneous CHARMM questions
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chmgr
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rmv
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Re: The hbond command
(lennart) -
09/02/10
10:39 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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Re: How to use GENRTF?
(rmv) -
07/13/10
01:14 PM
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 CHARMM t...
(tim) -
09/04/10
12:47 AM
CHARMM-GUI
A place to discuss the CHARMM-GUI interface: http://www.charmm-gui.org
Moderator:
wonpil
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Re: Charmm-gui offline?
(Sunhwan) -
08/26/10
11:49 PM
MMTSB
MMTSB CHARMM interface forum
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charlesbrooks
134
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Linking MMTSB with CHARMM
(Jun) -
08/30/10
12:20 AM
Accelrys
Discussion related to using CHARMM with Accelrys products
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BRBrooks
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Re: Generating RTF, PSF, C...
(David_Busath) -
08/11/10
06:06 PM
Q-Chem Interface Discussion
Post questions about Q-Chem/CHARMM QM/MM interface here.
Moderator:
hlwood
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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
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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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Forums upgraded to ubbthre...
(tim) -
03/30/10
10:43 PM
Bug Reports & Fixes
A place to submit or review bug reports and bug fixes
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BRBrooks
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chmgr
164
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Problem with broadcasting ...
(gpat) -
09/03/10
11:17 AM
Script Archive
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A place to post and download CHARMM scripts
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chmgr
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petrella
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Re: Transit from all27ff t...
(blubbi) -
08/26/10
04:45 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: Search function broken
(tim) -
08/03/10
10:08 PM
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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Postdoctoral Position in C...
(wonpil) -
06/01/10
02:34 PM
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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Re: Brooks/Pastor group me...
(wxw) -
04/27/10
10:54 AM
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
Frequently Asked Questions about these forums
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alex
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rmv
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(tim) -
09/08/05
03:07 PM
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