AMBER Archive (2003)

Subject: A simple question about offset, want to make sure

From: Huang Zunnan (zn_huang_at_yahoo.com)
Date: Sat May 31 2003 - 11:44:46 CDT

Dear Sir or Madam:
 
I want to use GB1 in Amber to run some jobs. I realize
that the slight difference between Amber 6 and Amber 7
is the vdw radii of HN (Amber 6: 1.2, Amber 7: 1.3).
The question is that wether we still need to keep the
offset 0.13Angstrom in Amber 7 (in the paper by Tsui
and Case for this "standard" GB1). The default set in
Amber 7 is 0.09 Angstrom.

Thanks a lot.

Best wishes
Zunnan

=====
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Zunnan Huang Tel: 405-325-9629(Home)
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Norman, OK 73072 405-249-3296(Cell)
Email: znhuang_at_chemdept.chem.ou.edu; znhuang_at_ou.edu
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