Dear Gromacs users!
Sometimes I need to calculate exact numbers of different molecules of my system based on the initial gro file to add this information at the end of the topol.top file. Its not trivial task for the big heterogeneous systems ( e.g protein embeded into the membrane solvated in water and ions ). How I could make such calculations of total numbers of lipids, solvent and ions from initial gro file in the most trivial way ( mb with some external software) ? James -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
