Re: sander outputs

From: Holger Gohlke <gohlke.scripps.edu>
Date: Fri, 28 Mar 2003 16:26:10 -0800

Hi,

> How to convert the energy minimised output of "sander"
> into a pdb format ?
>
> This is essential, when we need to carry out secondary
> structure predictions. Such kind of programs generally
> a accept an input file in pdb format.

Either with "ptraj" (see commands trajin/trajout) or by using "ambpdb"
from the amber suite.

Best regards

Holger 

-- 
+++++++++++++++++++++++++++++++++++++++++++++
Dr. Holger Gohlke
Dept. of Molecular Biology, TPC15
The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037  USA
phone: +1-858-784-9788
fax:   +1-858-784-8896
email: gohlke.scripps.edu
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Received on Sat Mar 29 2003 - 00:53:01 PST
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