Thanks Prof Case.
Regards
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________________________________
From: David A Case <david.case.rutgers.edu>
Sent: Friday, December 6, 2019 8:28:04 AM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] Equilibriation input file for TI
On Thu, Dec 05, 2019, Debarati DasGupta wrote:
>
>Any suggestions on what should be the taup value set to ?
I suggest using the Monte Carlo barostat (barostat=2) instead.
...dac
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Received on Fri Dec 06 2019 - 08:00:02 PST
