Hi gmx-users, I am trying to calculate atomic stress distribution on CNT,s but Gromacs gives me just the global stress(virial,Pressure) of the whole system and not the cnt atoms. Could any one suggest me how to calculate atomic site stress for a certain structure in Gromacs? Thanks Farzaneh
_______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/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/mailing_lists/users.php