Re: Cholesterol structure

From: Alexandre A. Vakhrouchev (makaveli.lcf_at_gmail.com)
Date: Thu Jan 31 2008 - 00:50:13 CST

Hi Richard!

As I understand pdb file contains only coordinates of atoms included
in cholesterol molecule, doesn't it? For psf structure I need bonds
and charges, thus proper topology file is required. I tried using
top_all27_prot_lip.inp and that caused errors.
Now I'm trying to follow Maria's instructions.

2008/1/29, Richard Wood <rwoodphd_at_yahoo.com>:
>
> Hi Alexandre,
>
> Perhaps if we understood your problem better we could help you.
>
> If you have a pdb of cholesterol, you can create a psf using psfgen.exe. Is
> that the problem, or is it something else?
>
> Richard
>
> Richard L. Wood, Ph. D.
> University of Minnesota
> Dept. of Medicinal Chemistry,
> College of Pharmacy
> 717 Delaware St. SE
> Minneapolis, MN 55414-2959
> woodx278_at_umn.edu
>

-- 
Best regards,
    Dr. Alexander Vakhrushev
Institute of Applied Mechanics
Ural Brunch of Russian Academy of Sciences
Dep. of Mech. and Phys.-Chem. heterogeneous mediums

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