AMBER Archive (2002)

Subject: simulation management tools

From: Tom Bishop (bishop_at_tulane.edu)
Date: Fri Jul 05 2002 - 10:58:59 CDT

Dear Amber Users,

What tools exists for the management of simulations with Amber?
By management I mean everything from building the system, to running the
simulation to extracting information from the trajectory. I presume
most folks have just developed a ton of scripts to do this that and the
other thing.
 
I'm also interested in tools that integrate amber with other modeling
products e.g. dock, sybl, etc...etc... both commercial and "in-house"
tools that are used.

I'll post a summary if there is sufficient response.
Thanks,
TOm 

-- 
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Thomas C. Bishop, Ph.D.
Joint Faculty Appointments Program Professor
Center for Bioenvironmental Research
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Tulane University Office
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Dept. of Environmental Health Sciences(SL-29)
School of Public Health & Trop. Medicine
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New Orleans, LA 70112
Phone: 504-988-6203   Fax: 504-585-6428 
bishop_at_tulane.edu
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Xavier University Office
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Division of Basic Pharmaceutical Sciences
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Phone: 504-485-5106   Fax: 504-485-7954
tbishop_at_xula.edu
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