AMBER Archive (2002)

Subject: carnal RST output format

From: Pascal Bonnet (pascal.bonnet_at_man.ac.uk)
Date: Tue Mar 19 2002 - 08:12:31 CST


Dear amber users,

When I write a RST (restart) ouput format with carnal, by default,
carnal writes the number of iterations at the end of the output file. Is
it possible to avoid this feature? (this doesn't happend with the crd
format).

Obviously, one of the solution is to modify the fortran code, but I
prefer an other solution.

This is my input file:

FILES_IN
 PARM p1 ./parm_complex.top;
 STREAM s1 ./file_complex.crd;
FILES_OUT
 COORD crd1 file_protein.crd RST;
DECLARE
 GROUP g1 (RES 1-388);
OUTPUT
 COORD crd1 s1 GROUP g1;
END

my ouput file is: file_complex.crd.1 because I have only one iteration.

Thanks in advance.

pascal

-- 
***************************************************
 Dr. Pascal Bonnet
 School of Pharmacy and Pharmaceutical Sciences,
 University of Manchester, Manchester, M13 9PL, U.K.
 Tel:(+44) (0)161 275 2431
 http://www.man.ac.uk/~mbpsspb3