xianghong qi wrote:
Hello, everyone,
I want to create a pdb file for methane pair . I can make methane pair
from MOE and then save to pdb file format without any residue name there.
The question is that I can't convert pdb file to .gro file from gromacs
without residue name. Anyone has any idea about this question. I appreciate
your help.
You don't need a .gro file for itself.. see
http://wiki.gromacs.org/index.php/Coordinate_File#On_the_need_for_a_.gro_file
You'll need a residue name to get a topology defined, so edit one in.
Mark
_______________________________________________
gmx-users mailing list [email protected]
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
