[gmx-users] calculation of surface tension of a polymer surface

[Maria Luisa]

Dear all,
I've a question. I've a PVDF polymeric membranes, for which I'd like to
calculate its surface tension. I performed a MD simulation of
crystallization and I'd like to know if it's possible if there's a method
to evaluate surface energy.

With command gmx energy, there's the possibility to calculate Surf*Surf
Tens. But at what is it referred?

Thank you to all in advance.

Maria Luisa


Maria Luisa Perrotta
Ph.D Student, CNR-ITM
via P.Bucci, 87036 Rende (Cs)
Italy
email: ml.perrotta at itm.cnr.it