[gmx-users] methanol simulation

mustafa bilsel mfbilsel at gmail.com
Thu Jan 6 12:35:09 CET 2011

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
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