[gmx-users] Re: WCA and free energy calculations

[Berk Hess]

>From: Mark Abraham <Mark.Abraham at anu.edu.au>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>Subject: Re: [gmx-users] Re: WCA and free energy calculations
>Date: Mon, 25 Jun 2007 22:49:23 +1000
>
>Berk Hess wrote:
>>Nearly anything can be done now in Gromacs :) (although sometimes not 
>>easily).
>
>So where's g_makemylunch then?

There is not a single program to do that.
But you could go to the pdb, download hen eggwhite lysozyme.
run pdb2gmx, grompp, mdrun and then vmd.

Berk.

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