AMBER Archive (2004)

Subject: Re: AMBER: Group in sander

From: Viktor Hornak (hornak_at_csb.sunysb.edu)
Date: Mon Apr 12 2004 - 14:13:15 CDT

xiaowei li wrote:

> Hi, I am using SANDER to minimize the energy of DNA before I calculate
> its frequencies using NMODE. Because I do not want to restrain any
> atoms in the mimization, so there is no group information in my input
> file for sander. However, I got an error message " sandermin.in, Group
> is not found at the end of file". Is the group information required
> for any minimization in sander? Thank you!

Which version of amber are you talking about? Is ntr set to 0 in your
input file? Even better, what does your input file look like?

-Viktor 

-- 
Viktor Hornak
SUNY at Stony Brook

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