[gmx-users] Decane/Water model

Xiang(Simon) WANG simwang at chem.ufl.edu
Fri Jan 4 00:53:26 CET 2002


Can someone enlighten me how to build the water/decane/water three-phase
model (van Buuren, A. R.; Marrink, S. J.; Berendsen H. J. C. J. Phys.
Chem. 1993, 97. 9206-9212.), used by Dr. Dale F. Mierke a lot in studies
of receptor? Are we able to build it from scratch just by using editconf
and genbox or there are special technics?

Thanks in advance for any advices,

X. Wang

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