AMBER Archive (2003)

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

From: Lishan Yao (yaolisha_at_pilot.msu.edu)
Date: Sun Apr 27 2003 - 19:37:13 CDT

Hi:
   It works. But the problem is the distances between heavy atoms I get
are wrong. I used insightII and moil-view to check them.I got different
results.

Lishan
 
On Fri, 2003-04-25 at 11:53, Sanjeev B.S. wrote:
>
> On 25 Apr 2003, Lishan Yao wrote:
>
> No. There are hydrogens in the group (connected to the n,o atoms).
> +++ But you are not selecting them! You are specifically selecting N? and
> O? I may be wrong, but you may open the PDB and see if any hydrogens are
> selected to make up for the number of atoms in the group you are
> selecting. Easier will be to include H* ( or H H? H?? etc )also and see
> if it works.
>