AMBER Archive (2009)

Subject: [AMBER] Distance restraints between groups of atoms

From: Germain Vallverdu (
Date: Wed Jun 03 2009 - 01:58:57 CDT

Dear amber users,

I would like to add a restraint on a distance between, one atom and a
group of atoms. I know how to put any restraint on one ore more
distances angles dihedral ect but I do not understand the syntax for
group of atoms. The manual says that I have to put a negative values of
iat1. But what next ? How do I distinguish the two groups or one groups
and an atom ?



Germain Vallverdu
Laboratoire de Chimie Physique
01 69 15 30 38

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