Hi all, I want to put off constraint between some bonds in my system based on their atom numbers but the .gro file and .top file atom numbers do not match, because I used .pdb file to generate this .top file using pdb2gmx. (the top files contains the atom numbers based on this initial input .pdb file and the subsequent .gro file contains different atom numbering)
I know that grompp generate constraints based on atomtypes in .top file but If I use the .pdb file (used during pdb2gmx) to do this will it be fine, as I will be using this .top file with .gro file for grompp. -- *----------------------- Thanks and Regards, Bipin Singh* -- 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
