AMBER Archive (2008)

Subject: Re: AMBER: distance restraint between non-bonded molecules

From: Carlos Simmerling (carlos.simmerling_at_gmail.com)
Date: Thu Dec 18 2008 - 05:45:13 CST

yes you can, with nmropt=1. why will that not work? I use it all the time.

On Wed, Dec 17, 2008 at 7:13 PM, Taufik Al-Sarraj <
taufik.alsarraj_at_utoronto.ca> wrote:

> Hello,
> If i have two molecules that are capable of forming a H-bond. is it
> possible to place a restraint between the two atoms, even though there is no
> bond between them?
>
> in other words how can i bring two non-bonded molecules closer together
> using a distance between two specific atoms?
>
> I just realized that using nmropt = 1 is not going to work for me.
>
>
>
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