[gmx-users] Error in using gromacs for MD simulation

vineetha mandlik vinee2here at gmail.com
Tue Apr 24 11:56:12 CEST 2012

---------- Forwarded message ----------
From: Rossen Apostolov <rossen at kth.se>
Date: Mon, Apr 23, 2012 at 11:53 PM
Subject: Re: error in using gromacs for MD simulation
To: vineetha mandlik <vinee2here at gmail.com>

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On 2012-04-23 17.12, vineetha mandlik wrote:

Respected Sir,

    Thanks for your reply. I had written to you previously regarding the
error in the grompp command when running the MD simulation of a protein,
structure was obtaining using homology modelling approach.

 The error reported was : Number of coordinates in coordinate file
(z_b4em.gro) does not match that of topology file (z.top). We are however
not able to run the nohup command because of the above mentioned error.  I
m sending you the pdb,top and gro files along with a file containing the
commands and output obtained.

 Your help in resolving this issue would be highly appreciated.

 Thanking you.
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