Minimization with XPLOR

Victor Jongeneel vjongene at ludwig-sg1a
Thu Sep 1 05:20:05 EST 1994


Greetings!

I am (sadly) a newbie to protein structure work, and need help on what
should be a simple problem:  I would like to use XPLOR to run energy 
minimizations on structural models I am producing.  I have the stream
files to do this with CHARMM (which I do not have).  Any pointers as to
how to convert CHARMM command sets to equivalent XPLOR scripts?
Any canned XPLOR scripts to run standard minimizations (steepest descent
and conjugate gradient)?

Any mail on this greatly appreciated!

Victor Jongeneel






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