[AMBER] Problem regarding umbrella sampling

From: Rituparna Roy <rituparna_roy10.yahoo.com>
Date: Mon, 20 Jan 2020 04:31:13 +0000 (UTC)

I am trying to do an umbrella sampling. Upon using the WHAM algorithm, I am getting the following error:
wham 1.5 6.75 22 0.01 300 0 meta.dat result.dat
#Number of windows = 22
# Correl time is too big for distance_3.dat:
# You have 0 points, correl time 1.000000
# Bootstrap error analysis will crash
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.
Kindly help.
Thanks in advance.
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Received on Sun Jan 19 2020 - 21:00:01 PST
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