On Tue, 9 May 2006 16:48:43 -0500
Ashutosh Jogalekar <[EMAIL PROTECTED]> wrote:
Hi
I have a protein that I have simulated for 1 ns. I want
to observe the variation in the number of water
molecules within 2.0 A of the backbone of the protein,
as a function of time. So I should be able to see this
variation as a graph in xmgrace, with time on the X axis,
and the number within 2.0 A on the Y axis. What command
could I use for doing this? If not, is there any way
that this can be done?
g_mindist can counts the number of contacts between two
groups (protine and oxygen of water molecules in your
case)
within a given distance.
check g_mindist -h
XAvier
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