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 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.