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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
Moderator:
lennart
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Re: Outputting values to a...
(gak5001) -
07/01/09
02:00 PM
Energy terms, Constraints, Restraints, and Solvation
A place to discuss energy function terms and related topics
Moderator:
BRBrooks
502
1834
Re: example scripts for la...
(rmv) -
06/30/09
03:22 PM
Parameter Set Discussion
A place for energy parameters questions and discussions
Moderator:
alex
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chmgr
761
2690
Re: Other parameter files
(rmv) -
06/28/09
12:22 PM
Molecular Dynamics
(1 viewing)
A place to discuss MD, trajectory analysis, and related methods
Moderator:
BRBrooks
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wxw
1043
4296
Re: NTRF and Langevin MD
(rmv) -
Yesterday at
05:13 PM
Minimization, Normal modes, Monte Carlo,...
(1 viewing)
A place to discuss non-MD based energy methods
Moderator:
BRBrooks
293
1033
Re: GCMC simulation cutim ...
(rmv) -
06/24/09
01:07 PM
QM/MM Discussion and Questions
A place for QM/MM questions: semi-emperical and ab initio
Moderator:
BRBrooks
162
491
SCCDFTB in parallel
(romarine) -
Yesterday at
04:52 AM
Installation and Performance
(2 viewing)
A place to discuss compilation, execution, and performance issues
Moderator:
chmgr
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lennart
499
2166
Re: install error i don't ...
(DanSandbergUCONN) -
06/24/09
01:26 PM
Other User Discussion and Questions
(1 viewing)
A place for miscellaneous CHARMM questions
Moderator:
chmgr
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rmv
148
463
Re: Cartesian vs. Angles
(Kenno) -
06/22/09
03:49 PM
General Chemistry Discussions
Forum to discuss general computational chemistry questions
Moderator:
hlwood
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rmv
40
121
Re: comparing groups of mo...
(rmv) -
Yesterday at
01:31 PM
CHARMM Interfaces
Discussions relating to programs connected to CHARMM
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Insight & Quanta
Discussion related to using CHARMM with Insight or Quanta
Moderator:
BRBrooks
51
126
Re: General purpose and al...
(jinzishuai) -
03/17/08
12:23 PM
MMTSB
MMTSB CHARMM interface forum
Moderator:
charlesbrooks
114
351
the second reaction coordi...
(aliaselin) -
07/01/09
08:39 AM
CHARMM-GUI
A place to discuss the CHARMM-GUI interface: http://www.charmm-gui.org
Moderator:
wonpil
10
19
"Next Step" does...
(xuzp) -
06/25/09
05:50 PM
Q-Chem Interface Discussion
Post questions about Q-Chem/CHARMM QM/MM interface here.
Moderator:
hlwood
0
0
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CHARMMing
Discussion of the CHARMMing Web interface: http://www.charmming.org.
Moderator:
hlwood
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tim
5
11
CHARMMing 0.7 released
(tim) -
06/25/09
02:16 PM
GAMESS-UK discussion
A place to discuss QM/MM calculations using GAMESS-UK
Moderator:
milan
,
sherwood
16
61
Re: Fatal Error using ddik...
(MeMo) -
02/21/09
08:05 PM
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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chmgr
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pastor
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tim
16
44
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
Moderator:
BRBrooks
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chmgr
150
423
Re: c34b1 fix for PGI comp...
(noskov) -
06/14/09
09:31 PM
Script Archive
(2 viewing)
A place to post and download CHARMM scripts
Moderator:
chmgr
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petrella
88
524
Re: bulk dielectric consta...
(TGK) -
06/13/09
03:11 PM
Suggestions and Requests
A place to suggest new features for CHARMM or this website
Moderator:
chmgr
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lennart
19
47
Re: seeking topology files...
(rmv) -
06/09/08
12:42 PM
CHARMM Course
Place to discuss the CHARMM Course
Moderator:
BRBrooks
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hlwood
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tim
24
46
Re: Lecture 20 - free ener...
(tim) -
05/17/09
01:19 AM
Position Openings
A place to seek or advertise open positions or collaborations
Moderator:
hlwood
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rmv
47
53
Postdoc position at The Un...
(wonpil) -
Yesterday at
02:48 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
62
102
QChem workshop, August 15,...
(Yihan Shao) -
06/16/09
01:35 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
,
rmv
94
89
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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Subscription issues
(tim) -
09/08/05
03:07 PM
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