On Wed, Mar 24, 2010, Steve Seibold wrote:
> I am trying to generate a mutant using crdgrow. 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.
I'm guessing (but cc-ing to Junmei) that crdgrow expects to just get a single
residue (backbone), not an entire protein.
I'm also not sure that this is anywhere near the recommeded way to model in
missing sidechains(?). Junmei: do you know why crdgrow is not compiled by
default? Should we continue to support this code?
...thx...dac
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Received on Thu Mar 25 2010 - 11:00:10 PDT
