Hi,
If you can't find the parameters for CBD from any library or literature,
follow or redo your procedure using Ross et al. Amber tutorial
http://ambermd.org/tutorials/basic/tutorial4b/index.php
Regards
Monsurat.
On Wed, Oct 18, 2023 at 4:58 PM Robert Palmere via AMBER <amber.ambermd.org>
wrote:
> Hello,
>
> I am interested in simulating Cannabidiol (CBD) using the AMBER software
> suite.
>
> However, there seems to be missing parameters within the .frcmod file
> after running “parmchk2”.
>
> Are there parameters within $AMBERHOME/dat/leap/parm/ that would be
> sufficient for these missing parameters?
>
> If not, what would be the best course of action to get these parameters?
>
> I have attached the .mol2 and .frcmod files to this email.
>
> Thank you in advance for your time and consideration.
>
> Sincerely,
>
> Robert
>
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Received on Wed Oct 18 2023 - 16:00:02 PDT
