[gmx-users] Gromacs force field parametsin NAMD: Syntax error in ATOMS

Sichun Yang syang at physics.ucsd.edu
Wed Jun 23 20:07:07 CEST 2004

Dear all,

I am new to GROMACS; I am forwarding the email I posted to NAMD-list since
I haven't got any reply yet. Any hing is welcome.

I have been trying to use GROMACS format force field using OPLS-AA in 
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


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