Gromacs force field paramets: Syntax error in ATOMS

From: Sichun Yang (syang_at_physics.ucsd.edu)
Date: Wed Jun 23 2004 - 03:09:39 CDT

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Dear all,

I have been trying to use GROMACS format force field in NAMD.
The error message I have from the output of NAMD:

Info: Using GROMACS format force field!
Info: GROMACS TOPO FILE /parm/my8569.top
Info: GROMACS COOR FILE /parm/my8569.gro
Syntax error in ATOMS

Any suggestion?

The Gromacs format force field is genetated by GROMACS version 3.2.0.
The topology file looks like:

    12 opls_235 2 GLY C 4 0.5 12.011 ;
qtot 0.5
    13 opls_236 2 GLY O 4 -0.5 15.9994 ;
qtot 0
    14 opls_238 3 GLU N 5 -0.5 14.0067 ;
qtot -0.5

Thanks,
-Sichun

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