AMBER Archive (2006)

Subject: Re: AMBER: Fwd: RESP for deprotonated tyrosine and lysine

From: FyD (fyd_at_u-picardie.fr)
Date: Thu May 25 2006 - 03:26:15 CDT

Quoting jitrayut jitonnom <jitrayut.018_at_gmail.com>:

> I want to do the deprotonated tyrosine and lysine (basic form) calculated
> using Antechamber with
> the RESP charge method based on HF/6-31G* calculations conducted
> with Gaussian 98. I have done the guideline that you give in AMBER Archive
> (2002) ---

You can also use R.E.D. See the R.E.DD.B. project code:
F-65 up to F-70.
and F-23 up to F-28 for another example; for OMe-Tyr
http://www.u-picardie.fr/labo/lbpd/REDDB/up/F-23/

regards, F.

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