(no subject)

From: Michal Otyepka <otyepka_at_aix.upol.cz>
Date: Wed 4 Jul 2001 19:20:54 +0200 (DFT)

Dear AMBER users,

I wonder if it is possible to extract trajectory of selected group to
a serie of PDBs. I would like to extract a protein and some water
molecules between 400ps to 450ps ...

CARNAL input looks like this:

FILES_IN
        PARM p1 prot.top;
        STREAM s1
        prot.traj;
FILES_OUT
         COORD c1 _prot_ PDB;
DECLARE
         GROUP g1 (RES 1-356,533,5257);
OUTPUT
         COORD c1 SELECT (400-450) g1;
END

but, as excepted, it does not work. Could you give me any suggestion?


With best regards, Michal Otyepka


      
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Received on Wed Jul 04 2001 - 10:20:54 PDT
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