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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Received on Sun Mar 13 2005 - 18:53:01 PST
