Hello everyone, There has been other reports on the mailing list where users attempt to generate a topology with x2top only to have the program stall and generate no output. I'm using x2top (from Gromacs version 3.3.1) to generate topology files for infinite carbon nanotubes and graphene sheets. Starting from a pdb file with box dimensions compatible with PBC I enter:
x2top -f <coordinates>.pdb -o <topology>.top -pbc I then select force field 7 (the deprecated Gromacs force field) and I get the following output: Looking whether force field file ffgmx.rtp exists Opening library file /home/bob/programs/gromacs/share/gromacs/top/ffgmx.rtp Generating bonds from distances... Opening library file /home/bob/programs/gromacs/share/gromacs/top/ffgmx.atp There are 53 type to mass translations atom 0 At this point the program just sits there while still occupying 100% of the CPU. I don't experience this problem when using x2top from version 3.3 that was compiled on a different machine. Does anyone know the fix to this problem? Maybe it has to do with the way the code is compiled? Thanks, Bob _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
