VMD-L Mailing List

From: Yarrow Madrona (amadrona_at_uci.edu)
Date: Wed Apr 17 2013 - 08:56:54 CDT

O.k, I figured out my question. Psfgen will make the waters CHARMM friendly

-Yarrow

> 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
>
>
>
> 

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