Dear Tsjerk Thanks for your consideration.
I ignored Warning 1. > WARNING 1 [file topol.top, line 32]: > 3632 non-matching atom names > atom names from topol.top will be used > atom names from system.gro will be ignored Based on your suggestion, I checked non-matching atom names between topol.top and system.gro files. I corrected system.gro file accordance with topol.top file. I did this work very carefully. I was watchful to not disturb the format of the system.gro file, so that when I saw system gro file (before and after the correction) by an editor program, both of them were same. But, when I use grompp, I encountered with: Fatal error: Something is wrong in the coordinate formatting of file sys.gro. Note that gro is fixed format (see the manual). How to solve this problem? Any help will highly appreciated. Best wishes for you. -- 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
