Hello,
I am trying to define a group in carnal that is 10A from the center of
mass of my ligand. Here is my carnal file:
FILES_IN
PARM p1 prmtop ;
STREAM s1 rst.0_80 ;
FILES_OUT
DECLARE
GROUP g1 (RES 491 ) ;
CUTRES c1 g1%cmass 10.0 ;
OUTPUT
END
When I run carnal, I receive the following error:
> FILES_IN
> PARM p1 prmtop ;
Reading parm file (prmtop)
parm: opening prmtop
> STREAM s1 rst.0_80 ;
Using default parm (prmtop) for STREAM s1
(box will be read from stream)
stream: opening rst.0_80
> FILES_OUT
> DECLARE
> GROUP g1 (RES 491 ) ;
** Group g1: 45 atoms
> CUTRES c1 g1%cmass 10.0 ;
CUTRES c1 g1%cmass 10.0 ;
..............^
Error in stdin line 7: CUTRES: expected cutoff
Last token was %
Does anyone know why it is terminating at the "%"?
Thanks,
Jory
--
Jory L. Zmuda
Graduate Student
Genetics, Bioinformatics and Computational Biology (GBCB)
Virginia Polytechnic Institute and State University
201 Engel Hall
Blacksburg, VA 24060
Phone - 540-231-9080
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Received on Wed Nov 19 2003 - 15:53:00 PST
