[gmx-users] water layer with g_select

Bala subramanian bala.biophysics at gmail.com
Tue Aug 28 17:37:58 CEST 2012

I read the documentation of g_select and previous questions, but I
could nt find how to extract the index of water layer around the
protein. While i understand that i can use 'within' keyword to get
water layer around protein, my need is slightly different in a sense
that i have specify a range of distances. For instance: Water at 2.5
to 5.0 Ang from protein etc.

I tried something like within 0.25 to 0.5, within 0.25-0.5 etc, but i
was not successful.

Any suggestions would be of great help.
Thanks in advance,

C. Balasubramanian

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