[gmx-users] Reg: Surface tension ref_p
kmvinoth at gmail.com
Sat Nov 13 10:34:20 CET 2010
I have created two liquid-liquid interfaces by combining three
(DCE-Water-DCE) boxes. I want to calculate the Interfacial surface tension
by using the surface tension option in Gromacs.
I know that I need to give two values for ref_p one for xy and other for z.
it was said in the manual that the "first value should be reference surface
tension times the number of surfaces".what does it mean? Do i need to get
the experimental surface tension (water-DCE in bar) and multiply it by 2 and
give as input for the first ref_p value? i know that the ref_p for z should
be 1 bar (correct me if i am wrong) Further more how come ref_p unit will be
bar nm for xy and for z it will be bar? any help is highly appreciated.
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