I am trying to solvate a protein with one layer of
water.does the solvate shell command in amber perform
the above operation .does solvateshell need the use of
non-periodic boundary condition?if so then how do i
include a code in the input file to restrain the
surface water molecules only so that it does not
evaporate.
Thank you in advance
janavi raghavan
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Received on Sun Mar 18 2007 - 06:07:21 PDT
