AMBER Archive (2005)

Subject: Re: AMBER: gyration radius

From: Guanglei Cui (cuigl_at_csb.sunysb.edu)
Date: Sun Mar 13 2005 - 12:18:18 CST

Hi, Julien

You need to have a matching prmtop and PDB file to use carnal. Here is a
sample carnal input to calculate radius gyration

FILES_IN
         PARM p1 _your_prmtop_;
         STREAM s1 _your_PDB_;
FILES_OUT
         TABLE t1 radgyr.tbl;
DECLARE
         GROUP grpid1 (_your_selection_);
OUTPUT
         TABLE t1 grpid1%radgyr;
END

Guanglei

julien wrote:
> Dear all,
>
> I tried to measure the radius of gyration of a unique structure (PDB format)
> using Carnal. I could not make it: Is it possible to do it and how ?
>
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