Minimization with XPLOR

John Kuszewski johnk at loglady.ninds.nih.gov
Thu Sep 1 13:16:43 EST 1994


Hi,

Your reply-to field doesn't contain a valid email 
address, so I'm posting instead.  I wrote some 
portions of xplor and have used it for a while.

The manual for version 3.1 (what most people have,
although a new version should be appearing soon)
is available from Yale Press (ISBN 0-300-05402-5)
and has many examples within, including conjugate
gradient minimization.

Although I doubt the Ax-Man Himself has time to 
read news, several Brunger students, postdocs,
and alumni read these groups, and we'd be
happy to help with specific problems.  Perhaps
there are even some people familiar with both 
CHARMm *and* xplor to convert your files.

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John Kuszewski                     ||  |/  /|  ||      
johnk at spasm.niddk.nih.gov          ||  /  /||  ||
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