Hello,
I am trying to print the free energy of a dihedral distribution, but the instructions in the manual are a little unclear.
Here is my command:
[multihist phi117_127[*] out h_Phi117_127_m7.dat min -180 max 180 step 5 normint free Hist_phi:117 phi:118 phi:119 phi:120 phi:121 phi:122 phi:123 phi:124 phi:125 phi:126 phi:127]
Warning: 'free' selects no data sets.
Warning: 'Hist_phi:117' selects no data sets.
Warning: 'phi:118' selects no data sets.
And the output says the free selects no data sets.
You see two variations "Hist_phi:117’ and 'phi:118'
But neither works.
Also how to direct the output into a file.
Thanks for your help.
Roman Osman
Professor
Department of Pharmacological Sciences
Icahn School of Medicine at Mount Sinai
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Received on Thu Jan 22 2026 - 15:30:02 PST
