AMBER Archive (2003)

Subject: Re: desolvation energy in mm_pbsa

From: Michael Ford (mford_at_ccrc.uga.edu)
Date: Tue Feb 04 2003 - 08:21:15 CST

you CAN use just pb or gb. (in my experience, for large molecules pb
isn't that useful)

You need to be careful with which GB options you choose (i.e. read the
references!)

eric hu wrote:

> Hi, in the mm_pbsa tutorial example 2, both pb and gb
> are used for desolvation calculation. Why cannot just
> use one of them? Also I do not have delphi. But I have
> UHBD and wonder if anyone has some experience with it.
> Thanks.
>
> Eric
>
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