[AMBER] Using predefined Ag+ parameters

From: Sam Walsworth (Researcher) <"Sam>
Date: Tue, 30 Nov 2021 13:48:02 +0000

Hello all

I stumbled across a library file containing different atomic ions, including Ag+, which I'm keen on using ($AMBERHOME/dat/leap/lib/atomic_ions.lib).

Would it be valid/acceptable to use this Ag+ residue for a bonded silver atom as part of an organosilver complex?

Sam
University of Huddersfield inspiring global professionals.
[https://marketing.hud.ac.uk/_HOSTED/EmailSig2014/EmailSigFooterSeptember2021.jpg]

This transmission is confidential and may be legally privileged. If you receive it in error, please notify us immediately by e-mail and remove it from your system. If the content of this e-mail does not relate to the business of the University of Huddersfield, then we do not endorse it and will accept no liability.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 30 2021 - 06:00:03 PST
Custom Search