[AMBER] Problem running production run

From: Airy Sanjeev <airy.sanjeev01.gmail.com>
Date: Sat, 16 Nov 2019 14:18:04 +0530

Hello Amber Users,

I want to run a production run but got the following error:

*Coordinate resetting (SHAKE) cannot be accomplished, deviation is too
large NITER, NIT, LL, I and J are : 0 0 11 15 16*

Kindly help me in this regard.

with best regards,
Airy Sanjeev, PhD
Post Doctoral Fellow
Indian Institute of Technology Guwahati, Guwahati
Assam-781039, India
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Received on Sat Nov 16 2019 - 01:00:01 PST
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