[gmx-users] Reg: pcoupling and ref_p
kmvinoth at gmail.com
Wed Nov 17 09:38:54 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? what is this
reference surface tension and what value i should put to calculate the
surface tension? 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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