Dear gmx users. I am new for MD and am learning hard but need to ask simple question,,,
I have co2 + water system. I understand RDF and it can calculate with g_rdf by choosing 2 species like o-o, c-o, etc. It is good! I also want to learn structure factor. But for structure factor can only choose 1 species, like Oxygen, then it calculates. Dose this mean it calculate Oxygen with all other species? What if I want separate o-o, o-c, etc. like in rdf ? Also are intensity units "Arbitrary Units"? Thank you in advance. Sincerely yours Tetsuo -- 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
