On Sat, Jan 28, 2012, Daniel Roe wrote:
>
> As stated in the AmberTools manual, the surface area calculated by
> cpptraj 'surf' reflects the contribution of atoms in <mask> to the
> overall surface area, not the surface area of <mask> as an isolated
> system
How about adding a new command that would do the latter directly, instead of
having to do repeated "strip" and "surf" commands? What the original poster
wants to do is a very common task, and we should make it is easy as possible.
....dac
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Received on Sat Jan 28 2012 - 10:00:02 PST
