On Wed, Sep 11, 2024, Debarati DasGupta via AMBER wrote:
>
>Secondly I wanted to use the first frame as reference instead of using the
>solvated initial setup.pdb file but when I plugged in "reference first" it
>did not like me either.
>
>distance d1 :RES.O22 :3.N6 noimage reference out d1_ligand.dat
I think if you replace the word "reference" with the word "first" you will
get what you want. (You indicate that you may be including both "reference"
and "first".) If that doesn't work, extract the first frame, and include it
in a "reference <filename>" command before you issue the distance command.
....dac
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Received on Thu Sep 12 2024 - 07:00:04 PDT
