VMD-L Mailing List
From: Yarrow Madrona (amadrona_at_uci.edu)
Date: Wed Apr 17 2013 - 08:56:54 CDT
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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
- Next message: Wenhao Liu: "Re: Is it necessary to set up more than 1 hydrogen bonding for one Acceptor in Water Int. in ffTK"
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- In reply to: Yarrow Madrona: "VMD water box vs. CHARMM"
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