ADL: Thnx for the advice...

Normandé Morrison normandemorrison at hotmail.com
Sat Nov 19 09:38:20 PST 2011


Thank you very much for the advice... will run a new shorter MD... this one was 50 ns... 

                                                                                                                                                                                                                                            
.Normandé Morrison. 



 > Date: Fri, 18 Nov 2011 17:30:38 -0500
> From: Mihaly.Mezei at mssm.edu
> To: autodock at scripps.edu
> Subject: Re: ADL: Could anyone help me please??
> 
> Hi,
> 
> your molecule probably was distroted at a few places, so some bonds appear to be broke and that confuses ADT. Try a short minimization of the final structure and see it ADT likes it better.
> 
> Mihaly Mezei
> 
> Department of Structural and Chemical Biology, Mount Sinai School of Medicine
> Voice:  (212) 659-5475   Fax: (212) 849-2456
> WWW (MSSM home): http://www.mountsinai.org/Find%20A%20Faculty/profile.do?id=0000072500001497192632
> WWW (Lab home - software, publications): http://inka.mssm.edu/~mezei
> WWW (Department): http://atlas.physbio.mssm.edu
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