Hi all, I have the following error in grompp before energy minimization: No such moleculetype SOL I have used grep to count the methanol molecules and added SOL 291 comment in .top file to tell the number of methanols. What is missing there?
Note: I have used pdb2gmx -f xxx.pdb , that is, I haven't added anything like in water simulation -water tip3p. Should we add something to tell the gromacs that it is methanol simulation? best wishes mustafa
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