Dear Gromacs users, I'm simulating a water-oil interface. From litterature interfacial tension is determined from pressure tensors as follows:1/2 (Pz - (px+py)/2))*Lz Where Pz, Px and Py are the pressure tensors in the different axis. I did a NPT simulation step and I want to check my interfacial tension value. Should I calculate the interfacial tension in every step and take the average interfacial tension for all the steps or should I take the average of the presssure tensors from all the steps and calculate the interfacial tension which will be only one value? Because it gives different values.
Can any one help me in that? thanks -- 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
