AMBER Archive (2001)Subject: Gibbs input
From: Kiyean Nam (kiynam_at_hotmail.com)
Date: Tue Feb 27 2001 - 22:24:44 CST
Dear All,
I am starting to use gibbs to calculate free energy perturbation of Leu to Phe mutation of the 200 aa long protein. Since this is the first time for me to use this program, I am struggling to make it work.
Could anyone generously provide a sample input file I can start from?
Any comment on this calculation will be welcome.
Thank you.
Kiyean Nam
UMDNJ/Novartis Predoctoral program
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Message-ID: <3A9CC90E.381A5D47@mail.uni-greifswald.de>
Date: Wed, 28 Feb 2001 10:46:54 +0100
From: Alexander Issanin
Organization: Universität Greifswald
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To: amber@cgl.ucsf.edu
Subject: Sander parallel compilation
References:
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Dear amber users!
I'm sorry if my question is too trivial.
I have no idea how to compile and run SANDER (AMBER5) parallel on Linux
machines.
We have 3 linux computers in our workgroup (one of them has two
processors) with different CPU speed. It was many messages in AMBER mail
list about successful parallel SANDER compilation, so I would be
appreciate if someone who has such an experience send me more or less
detailed information about it. Maybe it is also described on the web,
unfortunately corresponding amber web page
(www.amber.ucsf.edu/amber/parallel.html) seems not to be very useful.
I think those detailed description of parallel compilation could be
interesting for many users.
Alexander Issanin
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