[gmx-users] Gromacs force field parametsin NAMD: Syntax error in ATOMS
lindahl at csb.stanford.edu
Wed Jun 23 20:25:14 CEST 2004
This looks like it's generated by pdb2gmx, so it should be a perfectly
Sorry, but I don't think you'll be able to get much help debugging NAMD
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
> 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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