Re: [AMBER] Printing distance values to a file

From: David A Case <>
Date: Wed, 16 Jan 2019 10:17:44 -0500

On Tue, Jan 15, 2019, Sundar wrote:
>How to print distance values for every requested time step while using
>distance restraints?
>I had the following in my file, but nothing is printed in the
>dist.txt file.

Did you set the DUMPFREQ variable? Like this:

 &wt type='DUMPFREQ', istep1=10 /
 &wt type='END' /

See the example in section 21.4 of the Reference Manual.


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Received on Wed Jan 16 2019 - 07:30:04 PST
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