[gmx-users] Re: reducing vdw radii

[Kia Balali-Mood]

Hi Uwe,

I suggest you goto

/usr/local/share/gromacs/top/

then perhaps login as ur root user, u can then use a text editor to change the
approximate van der waals radius in "vdwradii.dat". Note all are in nm!

cheers

Kia

> Message: 10
> Date: Thu, 8 Jul 2004 09:43:08 +0200 (MEST)
> From: "Uwe Richter" <quantix1 at gmx.de>
> Subject: [gmx-users] reducing vdw radii
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID: <30163.1089272588 at www63.gmx.net>
> Content-Type: text/plain; charset="us-ascii"
>
> Hi all,
>
> is there an easy way to effectively reduce the vdw radii of the
> atoms of my system. I want to use that for some docking experiments.
>
> Thanks,
> Uwe
>
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******************************************************************************
Kia Balali-Mood
Laboratory of Membrane Biophysics
Division of Veterinary Biomedical Sciences
College of Medicine & Veterinary Medicine
The Vet School
University of Edinburgh
Summerhall
Edinburgh, EH9 1QH
Tel. +44 (0)131 650 6142
Fax. +44 (0)131 650 6576
leaflet.vet.ed.ac.uk