From: santanu chatterjee (santanu_c10_at_yahoo.co.in)
Date: Fri Nov 04 2005 - 13:06:07 CST
Hi,
is there any way of deciding what size of water box
(i.e., how many water molecules) should be used to
solvate any protein? In NAMD tutorial, Ubiquitin is
solvated using 5 AA water box in each side of the
molecule. Ubiquitin is of size nearly 600 atoms. Is
that sufficient for any molecule of similar size?
Thanks in advance,
santanu
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