AMBER Archive (2007)

Subject: AMBER: PMF calculation - minimum conformer

From: Catein Catherine (askamber23_at_hotmail.com)
Date: Wed Sep 05 2007 - 05:48:04 CDT

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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