AMBER Archive (2003)

Subject: AMBER: missing of VdW Parameters for N3

From: Nikolai Smolin (smolin_at_steak.chemie.uni-dortmund.de)
Date: Fri Nov 21 2003 - 03:45:09 CST

Dear Amber users.

I used AMBER 6.0.
I just found that in parm94.dat missed Van der Waals Parameters for
atom type N3.
And for this type Leap used parameters from N type
just 1.824 for radius, but not 1.875 which value described
in paper Cornell and all. J. Am. Chem. Soc. 117 5179 1995.

Is it OK or not

with best regards
Nikolai Smolin. 

-- 
Dipl.-Phys. Nikolai Smolin

Physikalische Chemie I
Universitaet Dortmund
Otto-Hahn-Str. 6
44221 Dortmund
Germany

Tel:     +49 / 231 / 755 3929
Fax:     +49 / 231 / 755 3901

E-mail:  smolin_at_pci.chemie.uni-dortmund.de
www: http://pci.chemie.uni-dortmund.de/~smolin/

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu