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|
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http://aix.upol.cz/~otyepka |
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*-------------------------------------------------*
Received on Wed Jul 04 2001 - 10:20:54 PDT
