Dear gromacs users My simulation system contains protein, dna, water molecules and Na+ ions respectively.
I want to reorder water molecules with Na+ ions in final xtc file as at first 1-1867 complex (protein and dna) 1868 - 24085 SOL (water molecules) 24086 - 24099 Na+ (ions) after reordering 1-1867 complex (protein and dna) 1868 -1881 Na+ (ions) 1882 - 24099 SOL (water molecules) How to do that? I need to this reordering to obtain amber trajectory file (mdcrd) by VMD. any help and suggestion will highly appreciated. -- Leila Karami Ph.D. student of Physical Chemistry K.N. Toosi University of Technology Theoretical Physical Chemistry Group -- 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
