[gmx-users] Calculate surface tension

[cuong nguyen]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120603/a1da5bf8/attachment.html>