AMBER Archive (2008)

Subject: AMBER: distance restraint between non-bonded molecules

From: Taufik Al-Sarraj (taufik.alsarraj_at_utoronto.ca)
Date: Wed Dec 17 2008 - 18:13:36 CST

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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