Re: default GB radii

From: Andreas Svrcek-Seiler <svrci_at_tbi.univie.ac.at>
Date: Sat 7 Dec 2002 13:02:09 +0100 (CET)

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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Received on Sat Dec 07 2002 - 04:02:09 PST
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