AMBER Archive (2008)

Subject: Re: AMBER: 3fe-4s cluster parameter file generation

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Wed Sep 17 2008 - 12:41:28 CDT

>Please Help with a suggestion.

Either you will have to read the prep manual and keep trying until you
figure it out, starting with my suggestion, or you could build the
residue template by drawing it in xleap. In this case once it is drawn
you could select and then edit the atoms to set atom names, types, and
charges. Then saveoff the residue and use loadoff to load it later.
You can also use saveamberprep with your drawn residue to see what
the correct form would be.

Bill

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