Non-protein MD question.

02 February 2013 1 6K Report

I have a problem - I do not know how to create topology and .gro for nonane. pdb2gmx says that my residue name is not known, and it's right because of course it's not a residue. Anyone know a solution for that kind of problem?

Jan Majta

Thanks, i think You solved my problem (or at least led me to further problems :) ). I'll look for .itp for decane which I saw and will modify it.

I wasn't thinkink about FF yet (it's educational purpose).

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