On Thu, Jun 09, 2011, Azat Mukhametov wrote:
> I use another computer for calculations, just checked:
> I used:
> prot = loadpdb prot.pqr
> It gives huge number of warnings and mistakes
Can you look carefully at the first few error messages, and/or post the
beginning of your pqr file? A wild guess is that PDB2PQR is putting out an
odd format, not really compatible with pdb, or perhaps with the Amber
libraries.
I'm not sure I understand the original problem: why not use the pdb file that
you used for input to PDB2PQR? Or is there some other reason you have a pqr
format file, but not a pdb format file?
....dac
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Received on Thu Jun 09 2011 - 02:00:03 PDT
