Dear all I understand that pair interactions in gromacs are calculated through assembly loops. Can some one guide me to the resources using which I can write out the interaction energy/force for each pair directly from gromacs during the simulation (without using the rerun option). The rerun option is especially difficult when you want pair interaction between all atoms of one's system since one has to define that many index groups. I most cases rerun is good, but in my case I have to test interaction between several pairs.
Thanks for your help, Regards, Sapna
-- 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
