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 dallas.war...@monash.edu +61 3 9903 9304 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of vineetha mandlik Sent: Tuesday, 24 April 2012 7:56 PM To: gmx-users@gromacs.org Subject: [gmx-users] Error in using gromacs for MD simulation ---------- Forwarded message ---------- From: Rossen Apostolov <ros...@kth.se<mailto:ros...@kth.se>> Date: Mon, Apr 23, 2012 at 11:53 PM Subject: Re: error in using gromacs for MD simulation To: vineetha mandlik <vinee2h...@gmail.com<mailto:vinee2h...@gmail.com>> Please send your questions to the mailing list gmx-users@gromacs.org<mailto:gmx-users@gromacs.org>. 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.
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
