AMBER Archive (2008)

Subject: Re: AMBER: 3fe-4s cluster parameter file generation

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Mon Sep 15 2008 - 07:06:08 CDT

On Mon, Sep 15, 2008, moitrayee_at_mbu.iisc.ernet.in wrote:

> I prepared the .prepc file for the cluster...

You don't say how you got the prepc file. If you used antechamber, I
will just repeat what was said earlier: antechamber won't work for
transition metals. You will have to prepare the unit by hand.

...dac

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