[gmx-users] adding SR2++ to charm27 force field
m21.tang at qut.edu.au
Tue Apr 14 08:56:35 CEST 2015
I am trying to add SR 2++ in charm27 force field. I modified the ffnonbonded.itp, ffnanonbonded.itp, ions.itp, aminoacids,rtp, atomtypes.atp according to the parameters of SR in oplsaa.ff.
However, when using pdb2gmx, I came across the following fatal error:
Atomtype SR not found.
Could anybody give me some advice?
Thanks in advance,
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