AMBER Archive (2003)

Subject: Re: ALA-scan problem with mm_pbsa.pl

From: Holger Gohlke (gohlke_at_scripps.edu)
Date: Wed Apr 16 2003 - 12:40:44 CDT

Dear Natasja,

> I'm trying to do an alanine-scanning "experiment" on a protein-protein
> complex. I selected several residues to mutate to ALA in the mm_pbsa.in.
> The following error message comes to the screen:
> MUTANT_ATOM2 0 already exists in MAK

I put your ALA-scan input into my mm_pbsa.in file and I did not get any
error message. Could you please check if you separated key-value entries
on each line by spaces (not tabs). Otherwise you might want to send me
your whole mm_pbsa.in so I can track down what might go wrong.

Best regards

Holger 

-- 
+++++++++++++++++++++++++++++++++++++++++++++
Dr. Holger Gohlke
Dept. of Molecular Biology, TPC15
The Scripps Research Institute
10550 N. Torrey Pines Rd.
La Jolla CA 92037  USA
phone: +1-858-784-9788
fax:   +1-858-784-8896
email: gohlke_at_scripps.edu
+++++++++++++++++++++++++++++++++++++++++++++