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fhh2626 / BFEE2

binding free energy estimator 2
GNU General Public License v3.0
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colvars2.in does not exist! #118

Closed shradheyagupta closed 8 months ago

shradheyagupta commented 9 months ago

I am using the alchemical route for NAMD. as suggested in the readme file I run the 000.3_updateCenters.py in the 000_eq folder after completion of 000.1_eq.conf but the first line of the message shows that the "colvars2.in does not exist!" . Rest all files are updated

The files I have in the 000_eq folder are colvars.in and colvars_ligandOnly.in

Screenshot 2024-01-05 at 7 30 40 PM
fhh2626 commented 8 months ago

This is fine. I will suppress this warning in the next release.