[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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