[AMBER] Zn atom flying off

From: <moitrayee.mbu.iisc.ernet.in>
Date: Fri, 17 Aug 2012 19:25:18 +0530 (IST)

Dear Amber Users,

I am trying to run a simulation for a protein with C3H motif around Zn. I am
using the ZAFF and obtained the parameters for delta-protonated histidine for H.
However, one of the Zn is flying off during the simulation, with the other Zn
atom maintaining a stable position.

I would look forward to suggestions regarding this problem. Thanks a lot in

Best Regards,
Moitrayee Bhattacharyya
Molecular Biophysics Unit
Indian Institute of Science

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Received on Fri Aug 17 2012 - 07:00:02 PDT
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