[gmx-developers] Questions on gmx_membed

Shirts, Michael (mrs5pt) mrs5pt at eservices.virginia.edu
Wed Jul 21 18:09:00 CEST 2010


Following up on a question on gmx_membed that I had before and I don't think
was answered -- it seems that there really is a lot of duplicated code there
from other parts of gromacs -- are there plans for incorporating it in a
more modular way with the rest of the code base?  In my fep methods sandbox,
I've just disabled it, since I was getting tired of making so many of my
changes twice just to get the code to compile.

Best,
~~~~~~~~~~~~
Michael Shirts
Assistant Professor
Department of Chemical Engineering
University of Virginia
michael.shirts at virginia.edu
(434)-243-1821




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