AMBER Archive (2003)

Subject: Re: question about H-bond in carnal?

From: Lishan Yao (yaolisha_at_pilot.msu.edu)
Date: Fri Apr 25 2003 - 10:24:56 CDT

No. There are hydrogens in the group (connected to the n,o atoms).
On Fri, 2003-04-25 at 11:35, Sanjeev B.S. wrote:
> -------------------------------------------------------------------------
> > DECLARE
> > GROUP g1 ((RES 969,970,971,973)&(ATOM TYPE n? o?));
> ** Group g1: 36 atoms
> > GROUP g2 ((RES 1-968)&(ATOM TYPE N? O?));
> ** Group g2: 2840 atoms
> > GROUP g3 (ATOM TYPE OW);
> ** Group g3: 24534 atoms
> > OUTPUT
> > HBOND h1 DONOR g1 ACCEPTOR g2 DISTANCE 3.3 ANGLE 45.0 STATS;
> HBOND DONOR: no donor atoms in group
> -------------------------------------------------------------------------
> Is it 'cos no hydrogen are there in the group!?
>