Hi,
On Thu, May 26, 2011 at 10:46 AM, subrata paul <paul.subrata34.gmail.com> wrote:
> What the 1st 2nd 3rd colume means ?
First column is frame number, second column is number of waters in the
first solvation shell (default within 3.4 Ang), and the third column
is number of waters in the second solvation shell (default within 5.0
Ang). These defaults can be changed if you wish, see the manual for
details on how to do that.
>
> can i use :1-50.O1 insted of :1-50 ?
> because I want to know number of water molecule from that atom.
Yes, you can specify any mask you want for the solute.
-Dan
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu May 26 2011 - 08:30:02 PDT
