AMBER Archive (2006)

Subject: AMBER: grid output

From: Sergey Samsonov (sergeys_at_biotec.tu-dresden.de)
Date: Wed Nov 01 2006 - 10:31:34 CST

Dear AMBERs,

I've been using grid command for water molecules in ptraj AMBER module
and visualising the results in vmd (selecting Xplor file format for the
grid output).
Does anybody know in which units the isovalues are expressed in this
case? I wonder if this command could be used for some quantitative
estimations of density
distribution or it is just useful to obtain the results to visualize the
density (and the isovalues don't have really important meaning).

Thank you in advance!

Sergey
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