[AMBER] solvation free energy

From: Jorgen Simonsen <jorgen589.gmail.com>
Date: Tue, 22 Mar 2011 19:08:57 +0100

Hi all,

I would like to calculate the solvation free energy of my protein
complex which I have solvated in a periodic box which is neutral. I
have seen in the documentation that it is possible to use the APBS
module within amber but it seems that it is only using a GB model for
the solvation or do I just plug in my solvated structure into the
example(Amber 11)?

Thanks in advance

AMBER mailing list
Received on Tue Mar 22 2011 - 11:30:02 PDT
Custom Search