On Mon, Nov 09, 2015, Neha Gandhi wrote:
> I am trying to calculate distance (type noe and upperbound 6.5).
>
> I got the output
> NOE < 6.50 for 8.00% of the time
> NOE <r^-6>^(-1/6)= 7.0877
The formula used is given on the same line as the value: compute the average
value of 1/r^6 (averaged over all snapshots). The raise that value to the
(-1/6) power.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Nov 09 2015 - 05:30:04 PST