VMD-L Mailing List

From: Mary Varughese (maryvj1985_at_gmail.com)
Date: Tue Jul 15 2014 - 04:51:50 CDT

sir,

in vmd hbonds is given as

 Given an atom D with a hydrogen H bonded to it and an atom
     A with no hydrogen bonded to it, a hydrogen bond exists between
     A and H iff the distance ||D-A|| < dist and the angle D-H-A < ang,
     where ang and dist are user defined.

the default value of angle is given as 20 degrees.
is this 180-angle =20 as in amber

for a linear hbond what will be the angle value in vmd; 180 or 0 degree?

thanking you
mary varughese