ril 21, 2021 10:04 AM
To: Manish Sud
Cc: RDKit Discuss
Subject: Re: [Rdkit-discuss] Availability of new command line Psi4 scripts
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Hi Manish,
This is great. I used Psi4 extensively for torsional scans while at Denali. Do
you plan to include scripts for torsional
Hi Manish,
This is great. I used Psi4 extensively for torsional scans while at Denali.
Do you plan to include scripts for torsional scans?
Best,
JW
On Wed, Apr 21, 2021 at 9:11 AM Manish Sud wrote:
> Hi All,
>
>
>
> I'll like to share with you the availability of the following new command
>
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