AMBER Archive (2009)

Subject: [AMBER] GAFF parameter

From: stefano_elli\_at_libero\.it
Date: Tue Oct 20 2009 - 08:26:26 CDT

Hello

I would like to ask a question on NON Bond parameter of GAFF and on AMBER force field.

I have not a clear idea on how no bond vdw parameter work.

For example in the "gaff.dat" file at the bottom there are four column that begin with:

 
MOD4 RE

h1 1.3870 0.0157 Veenstra et al JCC,8,(1992),963
h2 1.2870 0.0157 Veenstra et al JCC,8,(1992),963
ho 0.0000 0.0000
...
END

1) How is the right mening of these parameter?

2) Why the atomtype 'ho' has both zero parameters?

Thank you so much!

Stefano

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