From: Yarrow Madrona (
Date: Tue Apr 16 2013 - 18:21:20 CDT


I'm sorry but I have a very beginner/naive question. I am generating a
solvent box around a protein using the VMD plugin solvate. However, I
noticed that CHARM uses waters with an extra bond (They look like
triangles). If I am going to use the CHARM force field do I need to
generate the waters somehow with psfgen? Thank you.


Yarrow Madrona
Graduate Student
Molecular Biology and Biochemistry Dept.
University of California, Irvine
Natural Sciences I, Rm 2403
Irvine, CA 92697