[gmx-users] Can not find forcefield for atom C4-1 with 0 bonds

Darrell Koskinen darrellk at ece.ubc.ca
Mon Nov 9 08:50:04 CET 2009


Hi,
I am trying to create a topology file from a .gro file. When I run x2top 
with methane (C4 opls_066) in my .gro file, I receive the following warning:
/Can not find forcefield for atom C4-1 with 0 bonds/

I have included the following line in the ffoplsaa.n2t file, which 
resides in my working directory:
/C4   opls_066    0      16.043  0/

I thought that the inclusion of the name to type definition for C4 in 
the .n2t file would have resolved the above warning.

Please let me know if there is something else I must do to resolve this 
problem.

Thanks.

Darrell



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