From: "Lepsa"
Subject: Re: question about MM-PBSA?
Date: Tue, 22 Apr 2003 08:50:42 +0200

Dear Lishan,
the first column is T(otal),S(idechain) and B(ackbone), then comes residue
number, INT, VDW, ELE, GB, and SAS.


> TDC 1 -442.789 -2.940 168.946 -37.666 278.644
> SDC 1 -442.789 -2.940 168.946 -37.666 278.644
> BDC 1 0.000 0.000 0.000 0.000 0.000
> What are they?
> Thanks.
>
> Lishan
>

Note: The last term is not energy! You must use the equation E(SAS) = beta*
SAS + gamma to get it.

Hope this helps,

Martin