AMBER Archive (2001)

Subject: (no subject)

From: Michal Otyepka (otyepka_at_aix.upol.cz)
Date: Wed Jul 04 2001 - 12:20:54 CDT

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

      
*---------------------------------------------[*]-*
| Department of Inorganic and Physical Chemistry |
| Palacky University |
| tr. Svobody 26, 771 46 Olomouc, Czech Republic |
| |
|ph. +420 68 563 4756 fax +420 68 522 5737|
| fax +420 68 563 4420|
|http://aix.upol.cz/~otyepka |
|http://www.upol.cz/kafch |
*-------------------------------------------------*