[gmx-users] Grompp problem?

Amy Petrik apetrik at umd.edu
Mon Jul 12 19:33:39 CEST 2004


I am running gromacs on an i686 with redhat 7.3.  I have just set it up and so i am trying to work through the tutorials.  When trying to run grompp I get an error stating that the number of coordinates in my coordinate file does not match then number of coordinates in my topology file.  It says that the coordinate files has "X" atoms and the topology file has zero.  By looking at the two files it appears to me that the topology file has no coordinates listed for any atoms.  This leads me to think that the problem is with my pdb2gmx program which generates the coordinate and topology files.  Any suggestions about what is going wrong?  Thanks!!

More information about the gromacs.org_gmx-users mailing list