AMBER Archive (2002)

Subject: Re: FEP/Gibbs question

From: Lepsa (lepsik_at_marilyn.uochb.cas.cz)
Date: Tue Dec 10 2002 - 09:59:39 CST

Dear Heike,
you might have found the answer in between but still........

> tutorial describes, I get an error in Xleap. The error message is: Could
> not find the perturbed type DH and Parameter file was not saved.
> What am I doing wrong?

you have to load the frcmod file which contains the parameters for dummy
atom. You'll find it
with the distribution.

All the best,

 Martin Lepsik

p.s. I wonder as well why the charge to put in it 0.105 and zeroes and not
those of alanine residue.