Re: FEP/Gibbs question

From: Lepsa <>
Date: Tue 10 Dec 2002 16:59:39 +0100

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.
Received on Tue Dec 10 2002 - 07:59:39 PST
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