Hey all,
I am running an alanine scanning calculations with the new 3DRISM
solvent model. I have used default settings.
The error I get is this:
getpdb: can't open file _MMPBSA_mutant_complex.pdb
close failed in file object destructor:
IOError: [Errno 9] Bad file descriptor
I do have a pdb file of the complex with the alanine mutation that I
used to generate the mutant_complex.prmtop file, so I can just manually
copy this over, but aren't the _MMPBSA*... files supposed to be created
by the script?
Best regards,
Jesper
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Received on Wed Sep 14 2011 - 19:00:03 PDT
