RE: duplicated key CA in psfgen

From: Pijush Ghosh (
Date: Tue Apr 19 2005 - 13:04:48 CDT

I would suggest you to change the definition of atom type in one of the
topology file, I had a similar type of problem and then I changed one of
them from say CA to ACA or something like this, use some efficient editor to
make this change, this will save some time. Make sure you make the
corresponding changes in your parameter file also, otherwise you will run
into a similar kind of problem while running MD or minimization.

Pijush Ghosh
PhD Student
Department of Civil Engineering
North Dakota State University
Fargo. ND. 58105. USA

-----Original Message-----
From: [] On Behalf
Sent: Tuesday, April 19, 2005 12:50 PM
Subject: namd-l: duplicated key CA in psfgen

Hi all,

I'm trying to applied SMD to a system containing proteins and nanotube so
I have used two topology files one for nantubes and the other for proteins
in psfgen and I have received this message:

Duplicate key CA

I think that's because the two topology files contains the some element CA.

Does anybody know how to solve that ?


Mustapha Hamdi
Laboratoire Vision et Robotique
ENSI de Bourges
10 Bd Lahitolle 18000
Bourges France.
Tel: (+33) 2 48 48 40 79
GSM: (+33) 6 24 95 39 53
Fax: (+33) 2 48 48 40 40

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