AMBER Archive (2003)

Subject: Re: AMBER: Re:atomic charges and internal H-bond

From: Piotr Cieplak (cieplak_at_cgl.ucsf.edu)
Date: Tue Oct 07 2003 - 16:36:10 CDT

If you have a strong H-bond in the molecule - the larger basis set
does not help.
Piotr

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