Fixing atoms in cartesian and internal space

From: Timm Essigke <essigke_at_email.domain.hidden>
Date: Wed, 26 Feb 2003 16:41:43 +0100

Dear all,

I would like to run a geometry optimization of a fairly large molecule.
I need to fix certain atoms in cartesian space, on the other hand I
would like to constrain a dihedral. Is there a way to do this?

I thought about using ZCart, but it is stated that it can not be used
with constraints.

Any hints are welcome!

Timm
Received on 2003-02-26 16:42:52

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