http://www.gromacs.org/Documentation/Errors#Number_of_coordinates_in_coordinate_file_does_not_match_topology
Catch ya, Dr. Dallas Warren Medicinal Chemistry and Drug Action Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 [email protected] +61 3 9903 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. From: [email protected] [mailto:[email protected]] On Behalf Of vineetha mandlik Sent: Tuesday, 24 April 2012 7:56 PM To: [email protected] Subject: [gmx-users] Error in using gromacs for MD simulation ---------- Forwarded message ---------- From: Rossen Apostolov <[email protected]<mailto:[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]<mailto:[email protected]>> Please send your questions to the mailing list [email protected]<mailto:[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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