[AMBER] when nastruct does NOT print the basepair information

From: newamber list <newamberlist.gmail.com>
Date: Thu, 15 May 2014 15:52:04 +0100

HI All

I am using cpptraj 'nastruct' option with AT14. I have starting 15 base
pairs so during evolution of MD some base pairs breaks as expected. In
comparison to my initial pairs finally I get 13 basepairs as calculated by

I am wondering when nastruct does NOT print the basepair information? Is it
when H-bonds between base pairs goes zero then base pair info is not
printed (as manual says at least one H bond should be present) or some
other factor among the Shear, Stretch, Stagger, Buckle, Propeller, Opening.
If not then I would expect it should print H-bond being '0' or it simply
ignores printing them.

AMBER mailing list
Received on Thu May 15 2014 - 08:00:02 PDT
Custom Search