Hello,
I have some confusions over carnal o/p regarding H-bonds.
1. The manual (p218) says that the hb LIST file would be in radians, but
apparently it is in degrees. 2. Also the threshold angle that would be
used was supposed to be diviation from linearity. Presumably it would
be 180-Ang(Acceptor,Hyd,Donor) degrees (p224). But from Hbond LIST file
o/p (at least for a few I checked), the angle printed is
Angle(Acceptor,Donor,Hydrogen) (degrees).
I am confused over the o/p that I got, and would appriciate any
clarifications over this.
Thanks in advance,
-Sanjeev
Received on Wed Sep 18 2002 - 21:18:36 PDT
