Please find parameters attached for methanol.
Sincerely
Debarati
From: David A Case<mailto:david.case.rutgers.edu>
Sent: Monday, February 7, 2022 9:45 PM
To: AMBER Mailing List<mailto:amber.ambermd.org>
Subject: Re: [AMBER] trouble finding vdW parameters for methanol
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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- application/octet-stream attachment: MOH.pdb
- application/octet-stream attachment: MOH.prepi
Received on Tue Feb 08 2022 - 08:00:02 PST
