Q733 wrote: > Hello everyone, I met with a problem today. I tried to simulate dppc > lipid in water.However, when I want to minimize energy ,the grompp > showed the error message like this: "number of coordinates in coordinate > file (box.gro 8253 ) doesn't match topology ( topol.top , 0 ). > I have used gromacs for sometime and checked the topology and itp file > carefully , but can't find out the problem.can anyone help me ?
Check out http://wiki.gromacs.org/index.php/Errors#Number_of_coordinates_in_coordinate_file_does_not_match_topology > here is the topology file,and I have added the ffgmx forcefield into > "lipid1.itp" > > #include "lipid1.itp" > #include "dppc.itp" Don't do this. To make sure you #include only one force field in a .top with multiple .itp #includes, do the #include from your .top file, not your .itp files. Mark _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
