Dear Sir/Madam,
I did a PMF calculation for a distance between a drug and receptor, and find a minimium at 3 Angstrom based on WHAM analysis.
Now, I want to extract the structure to visualize the minmum energy conformers. Could you please kindly teach me how to extract this minmum conformers form the mdcrd files?
Best regards,
Cat
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Received on Sun Sep 09 2007 - 06:07:06 PDT
