[gmx-users] adding SR2++ to charm27 force field

[Ming Tang]

Dear all,

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,
Ming