AMBER Archive (2007)

Subject: AMBER: van der Waals parameters and 6-12 potential parameters of NB in parm99.dat?

From: Chengwen Chen (chenchengwen_at_gmail.com)
Date: Fri Mar 09 2007 - 02:04:00 CST

Dear Amber users,

I would like to get the van der Waals parameters and 6-12 potential
parameters of NB in parm99.dat. But I can't find these parameter after "MOD4
RE". And there are some atom type including NB is listed before "MOD4 RE".
What does that mean? How can I get the parameter I wanted?

Thank you very much

from parm99.dat

N NA N2 N* NC NB NT NY
C* CA CB CC CD CK CM CN CQ CR CV CW CY CZ

MOD4 RE
  H 0.6000 0.0157 !Ferguson base pair geom.
  HO 0.0000 0.0000 OPLS Jorgensen,
JACS,110,(1988),1657
  HS 0.6000 0.0157 W. Cornell CH3SH --> CH3OH FEP
  HC 1.4870 0.0157 OPLS

Best Wishes,

Chen Chengwen

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