Quoting jitrayut jitonnom <jitrayut.018.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.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri May 26 2006 - 21:05:20 PDT
