[gmx-users] pdb2gmx Problems
Gromacs Newbie
gromacs_newbie at yahoo.com
Mon Jul 12 22:33:57 CEST 2004
Hi All,
I'm trying to convert the following pdb file:
HEADER PROTEIN
TITLE (3,3) SWCNT
AUTHOR TubeGen 3.1, J T Frey, University of
Delaware
ATOM 1 C UNK 1 -6.394 0.000 -1.231
1.00 0.00
ATOM 2 C UNK 1 -4.944 0.000 -1.231
1.00 0.00
ATOM 3 C UNK 1 -4.263 0.000 0.000
1.00 0.00
ATOM 4 C UNK 1 -2.812 0.000 0.000
1.00 0.00
ATOM 5 C UNK 1 -2.132 0.000 -1.231
1.00 0.00
ATOM 6 C UNK 1 -0.681 0.000 -1.231
1.00 0.00
ATOM 7 C UNK 1 0.000 0.000 0.000
1.00 0.00
ATOM 8 C UNK 1 1.451 0.000 0.000
1.00 0.00
ATOM 9 C UNK 1 2.132 0.000 -1.231
1.00 0.00
ATOM 10 C UNK 1 3.582 0.000 -1.231
1.00 0.00
ATOM 11 C UNK 1 4.263 0.000 0.000
1.00 0.00
ATOM 12 C UNK 1 5.714 0.000 0.000
1.00 0.00
MASTER 0 0 0 0 0 0 0 0
12 0 0 0
END
with the command:
pdb2gmx -f c.pdb -o c.gro -p c.top
and I am getting the error message:
Looking whether force field file ffG43a1.rtp exists
Opening library file
/usr/local/share/gromacs/top/ffG43a1.rtp
Opening library file
/usr/local/share/gromacs/top/aminoacids.dat
Reading c.pdb...
Warning: Number of atoms in c.pdb is 0
ATOM', 0 atomsGen 3.1, J T Frey, University of
Delaware
Opening library file
/usr/local/share/gromacs/top/xlateat.dat
23 out of 23 lines of xlateat.dat converted
succesfully
Fatal error: No atoms found in pdb file c.pdb
Can anyone tell me what is wrong with my file c.pdb?
Thanks in advance.
-Gary
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