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

[Erik Lindahl]

Hi,

This looks like it's generated by pdb2gmx, so it should be a perfectly 
fine topology.

Sorry, but I don't think you'll be able to get much help debugging NAMD 
here :-)

Cheers,

Erik



On Jun 23, 2004, at 8:07 PM, Sichun Yang wrote:

>
> 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
> 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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