Dear Gromacs-User, I have a question regarding graphene wall piston simulation. As far as I understand, a constant acceleration/force is applied onto the graphene wall at x direction when I put acceleration = 0.1 0.0 0.0 . However when I look at the movie, it seems to have sudden jerk movement of the graphene wall as if it is forcefully moved by changing the co-ordinate. Hence I have a question, is that the correct way to put constant pressure on the graphene wall / making a piston?
I just want to confirm that GROMACS change the acceleration of the F= ma and the pressure is not applied through changing the co-ordinate of the graphene sheet (i.e not same as using pull-code). Thank you very much, Best regards, Ben -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
