On Mon, Feb 07, 2022, Debarati DasGupta wrote:
>Loading parameters: ./frcmod.meoh
>Loading Prep file: ./MOH.prepi
>
>1 of 9 atoms missing charges on atoms lines: methanol
(This looks like a warning your should consider.)
>Loading PDB file: ./MOH.pdb
Where did these three files come from? Are you sure that that residue and
atom names in MOH.pdb match exactly those in MOH.prepi? You may need to
post the contents of these files.
....dac
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Received on Mon Feb 07 2022 - 19:00:02 PST
