Re: [AMBER] Electric Field Gradient

From: James Kress <>
Date: Thu, 25 Mar 2021 12:23:29 -0400

ORCA allows you to calculate the electric field gradient. See page890 of
the ORCA manual.

James Kress Ph.D., President
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-----Original Message-----
From: Mani Radh <>
Sent: Thursday, March 25, 2021 7:25 AM
Subject: [AMBER] Electric Field Gradient

Dear all,

I want to calculate the Electric Field Gradient time correlation function.
Is It possible to obtain t Electric Field Gradient (EFG) by AMBER directly?
or any special protocols need to be considered for MD simulation?

Any helpful suggestions would be very much appreciated.

Many thanks,

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Received on Thu Mar 25 2021 - 09:30:01 PDT
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