AMBER: distance restraint between non-bonded molecules

From: Taufik Al-Sarraj <>
Date: Wed, 17 Dec 2008 19:13:36 -0500

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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Received on Fri Dec 19 2008 - 01:14:00 PST
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