Re: [AMBER] Problem regarding umbrella sampling

From: David Case <>
Date: Mon, 20 Jan 2020 13:44:45 +0000

On Mon, Jan 20, 2020, Rituparna Roy wrote:

>Error reading time series file distance_3.dat
>No data points within histogram bounds [1.500000, 6.750000]
>You need to either change the bounds of your histogram or remove this
>file from the metadata file.

Have you examined what is in the distance_3.dat file? Seems to me that
this is a pretty informative error message, and should get you going on
finding your problem. No one on the list would have any ability to know
why the program is having trouble reading that file.


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Received on Mon Jan 20 2020 - 06:00:06 PST
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