[AMBER] crdgrow AMBER 8

From: Steve Seibold <seibold.chemistry.msu.edu>
Date: Wed, 24 Mar 2010 15:45:57 -0400

I am trying to generate a mutant using crdgrow USING AMBER 8 and not 9 which has a bugfix for this, I believe. I have a pdb file named "mutate.pdb". Here is my command line input:

Crdgrow -i mutate.pdb -o new.pdb -p file.prmtop -f prepi

The error message is printed to the screen multiple times as: "The atom number exceeds the MAXATOM, reallocate memory"

The practice protein I am using is just 80 residues long...It is the SH3 domain.

Am I doing something incorrect?


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Received on Wed Mar 24 2010 - 13:00:04 PDT
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