From: Ajasja Ljubetič (
Date: Tue Nov 20 2012 - 07:05:53 CST

Are you sure you have sent this message to the right mailing list? I have
my doubts...

VMD itself can not calculate H-bond strengths (as far as I know).


On 20 November 2012 13:10, 肖富贵 <> wrote:

> Hi guys,
> Is there a method to calculate the strengh of a hydrogen bond. There is a
> carbonyl grouop with two hydrogen bonds, and i guess these two hydrogen
> bonds have different strengh, so is there an accurate way to calculate it?
> Best wishes
> Fugui