On Thu, Dec 16, 2004, hj zou wrote:
>
> Sorry for the delay. Please find enclosed as attachment the requested
> parmtop file.
I am not able to reproduce your problem. I had to guess some: you sent all
kinds of file, but never the actual "pqr" file that is input to molsurf. But
I converted your "9.pdb" file myself, and used molsurf to calculate both the
molecular surface and and solvent accessible surface; neither gave a problem.
So I guess we will need more information: what version of Amber, which OS and
compiler, exactly what is the output from molsurf.
....dac
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Received on Thu Dec 16 2004 - 17:53:00 PST
