Re: sander outputs

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


> 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


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
Received on Sat Mar 29 2003 - 00:53:01 PST
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