AMBER Archive (2003)

Subject: AMBER: Cutress %cmass error

From: Jory Zmuda (jzmuda_at_vt.edu)
Date: Wed Nov 19 2003 - 09:17:08 CST

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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