Hello,
I have a small peptide that I'd like to solvate with glycerol (instead
of water). I couldn't find a .gro and .itp file for glycerol in the top
directory. I was wondering if anyone has such files and would be
willing to share them?
In looking at the other solvent .gro files (i.e. spc216.gro, dmso.gro),
each structure file contains many molecules of that solvent. Is this
necessary? In other words, can the .gro file contain just one molecule,
and will genbox work with that?
thanks,
Arneh
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