AMBER Archive (2002)

Subject: positional restraints

From: Vlad Cojocaru (Vlad.Cojocaru_at_mpi-bpc.mpg.de)
Date: Fri Dec 06 2002 - 06:55:05 CST

Dear Amber fellows,
   I am doing a minimization using positional restraints:
My group for restraints looks like this:
Group input for restrained atoms
 1000.0
FIND
N3 NC * RG5
C5 CB * RG
N2 N2 * RG5
C6 C * RG
N7 NB * RG5
N7 NB * RG
N1 NA * RG5
N4 N2 * RC3
N4 N2 * RC
N3 NC * RC3
N3 NC * RC
SEARCH
RES ${RES1} ${RES2}
END
END

In the sander output I receive the following error:
     GROUP 1 HAS HARMONIC CONSTRAINTS 1000.00000
      ALL ATOMS THAT MEET 1 OF THE FOLLOWING SPECIFICATIONS WILL BE
INCLUDED IN GROUP BELOW

      GRAPH NAME = N3 SYMBOL = NC TREE SYMBOL = * RESIDUE
TYPE = RG5

      GRAPH NAME = C5 SYMBOL = CB TREE SYMBOL = * RESIDUE
TYPE = RG

      GRAPH NAME = N2 SYMBOL = N2 TREE SYMBOL = * RESIDUE
TYPE = RG5

      GRAPH NAME = C6 SYMBOL = C TREE SYMBOL = * RESIDUE
TYPE = RG

      GRAPH NAME = N7 SYMBOL = NB TREE SYMBOL = * RESIDUE
TYPE = RG5

      GRAPH NAME = N7 SYMBOL = NB TREE SYMBOL = * RESIDUE
TYPE = RG

      GRAPH NAME = N1 SYMBOL = NA TREE SYMBOL = * RESIDUE
TYPE = RG5

      GRAPH NAME = N4 SYMBOL = N2 TREE SYMBOL = * RESIDUE
TYPE = RC3

      GRAPH NAME = N4 SYMBOL = N2 TREE SYMBOL = * RESIDUE
TYPE = RC

      GRAPH NAME = N3 SYMBOL = NC TREE SYMBOL = * RESIDUE
TYPE = RC3

      GRAPH NAME = N3 SYMBOL = NC TREE SYMBOL = * RESIDUE
TYPE = RC

      **** NUMBER OF FIND CARDS = 11 IS TOO BIG ******

 GRP 1 RES 1 TO 9
      Number of atoms in this group = 10
    ----- END OF GROUP READ -----
I am wondering about "**** NUMBER OF FIND CARDS = 11 IS TOO BIG ******
Does anyone have any idea about this?
Thanks a lot for any answers,
vlad 

-- 
Vlad Cojocaru 
Max Planck Institute for Biophysical Chemistry 
Department: 060 
Am Fassberg 11, 37077 Goettingen, Germany 
tel: ++49-551-201.1389 
e-mail: Vlad.Cojocaru_at_mpi-bpc.mpg.de
home tel: ++49-551-9963204