Dear list,
I want to add parameters for silicon in oplsaa.ff
In .rtp I added:
[ SI ]
[ atoms ]
SI opls_966 4.000 0
In .atp I added:
opls_966 28.08000 ; Si++++
In ffnonbonded.itp I added:
opls_966 Si4+ 14 28.08000 4.000 A 4.43500e-01 3.98000e-01
In ions.itp I added:
[ moleculetype ]
; molname nrexcl
SI 1
[ atoms ]
; id at type res nr residu name at name cg nr charge mass
1 opls_966 1 SI SI 1 4 28.0800
when I run this comman:
grompp -f ions.mdp -c solv.gro -p topol.top -o ions.tpr
I got this error:
Unknown bond_atomtype SI
Did I miss something or modify wrongly?
Thank you,
Ming
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