AMBER Archive (2008)

Subject: Re: AMBER: High ESURF

From: Andreas Svrcek-Seiler (
Date: Mon Nov 17 2008 - 02:24:02 CST

> calculate solvent accessible surface area
> &cntrl
> imin=5,
> ntb=0,
> igb=2,
> cut=15.0,
> gbsa=2,
> surften=1,
...I'm not perfectly sure off-hand, but I *think* the default surften
parameter is around 0.005 kcal/(mol*Angstrom**2), which would be 200 times
less than your value.

I hpe that helps,
good luck

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