AMBER Archive (2003)

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

From: Sanjeev B.S. (sanjeev_at_mbu.iisc.ernet.in)
Date: Fri Apr 25 2003 - 10:35:58 CDT

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> 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
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Is it 'cos no hydrogen are there in the group!?