VMD-L Mailing List

From: Yarrow Madrona (amadrona_at_uci.edu)
Date: Tue Apr 16 2013 - 18:21:20 CDT

Hello,

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 

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