Re: [AMBER] Issue about atomic forces acting on each atom

From: David A Case via AMBER <>
Date: Sat, 24 Jun 2023 07:55:34 -0400

On Fri, Jun 23, 2023, 簡羲煥 via AMBER wrote:

>Also, I have also tried to set ntwf = 500 intended to obtain the mdfrc
>file with using ioutfm = 0 to get the ACSII format (as shown below), but
>I have difficulty in finding what is the meaning of the corresponding
>column. Could you please also give me some instructions ?

It's the same format as a formatted trajectory file, except that the x,y,z
components of each atom's force replace the x,y,z components of each atom's

...hope this helps...dac

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Received on Sat Jun 24 2023 - 05:00:02 PDT
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