---------- Forwarded message ---------- From: Rossen Apostolov <[email protected]> Date: Mon, Apr 23, 2012 at 11:53 PM Subject: Re: error in using gromacs for MD simulation To: vineetha mandlik <[email protected]>
Please send your questions to the mailing list [email protected]. This is the administrative mail. Rossen 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. Vineetha.
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