Experience is what you get when you don't get what you
want.
-- Dan Stanford--
Dear all,
I would like to know the exact meaning of the angle cutoff
option of hbond command. If Im not wrong, the distance
cutoff for a hydrogen bond of the type O-H...O is defined
as the distance between the two heavy atoms of oxygen, but
Im having strange results when I change the value of the
angle cutoff. For example when I define a value of 60º ,
in the output I get all the angles above 60º but when I
define the cutoff to be 100º I get all my angles under
100º ! This behavior is somewhat contradictory.
How can I get for example all the interactions between
pairs ignoring the angle cutoff?
Thanks in advance.
Regards,
Nelson Fonseca
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Sep 02 2004 - 01:15:11 PDT
