Hi all, I try to make a simulation in methanol. I use gromos43a1 forcefield. My command follow, pdb2gmx -f xxx.pdb editconf -f conf.gro -bt dodecahedron -d 0.8 -o box.gro genbox -cp box.gro -cs methanol216.gro -p topol.top -o solvated.gro When grompp for minimization it gives an error: Atomtype CMET not found
I have used grep to count the methanol molecules and added SOL 660 comment in .top file to tell the number of methanols. Also I added #include "gromos43a1.ff/methanol.itp" line to .top. Please don't suggest non-water solvation in how-to part of Gromacs web. Could you tell me what missing is? best wishes mustafa
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