From: Mark Abraham <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <[email protected]>
To: Discussion list for GROMACS users <[email protected]>
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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