[gmx-users] Error in using gromacs for MD simulation
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>
Please send your questions to the mailing list gmx-users at gromacs.org. This
is the administrative mail.
On 2012-04-23 17.12, vineetha mandlik wrote:
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.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users