AMBER Archive (2002)

Subject: Re: default GB radii

From: Andreas Svrcek-Seiler (svrci_at_tbi.univie.ac.at)
Date: Sat Dec 07 2002 - 06:02:09 CST

Hi,
>
> does anyone know where I can find the default GB radii, or are these the
> vdW radii in e.g. parm99.dat?
In AMBER6, The default GB radii are assigned in 'mdread.f'.
Once you've located the file, look for 'L97'.
I can't tell whethter that's been changed in AMBER7,
but you might give it a try.

Hope it helps,
regards
Andreas 

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