Dear Gromacs Users, I am trying to calculate the surface tension at air/water interface of water model SPC/E. I used the command g_energy and chose #surfacetension. However, the output file was like this: 0 14001.49219 0.5 21139.67773 1 7328.798828 1.5 16114.55664 2 8224.392578 2.5 16558.38867 3 8603.480469 3.5 -8019.197754 4 -8756.329102 4.5 4309.573242 5 5473.54541 5.5 -4476.996094 6 -2218.013672 6.5 -8038.819336 7 8374.514648 7.5 10971.41602 8 9115.582031 ........
Please let me know how to deal with this result to get the surface tension value as reported in some articles? Thank you in advance. Regards, Cuong
-- 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
