ADL: Hybrid small molecule docking regaring

Van Dam, Hubertus hvandam at bnl.gov
Thu Apr 16 09:28:17 PDT 2020


Hi Saravanan,

Do you get any error messages from the program? You should have gotten an error message on Aluminium phosphate as Autodock by default does not support Al atoms (see for details: http://autodock.scripps.edu/resources/parameters/AD4_parameters.dat/view, https://www.researchgate.net/post/how_to_add_Ni_parameter_in_autodock_42, https://www.researchgate.net/post/How_to_add_Cobalt_atomic_parameter_in_autodock_42, and the comments in these posts). I don't know how the code may have responded on the other molecules.

Best wishes,

    Huub

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Hubertus van Dam, 631-344-6020, hvandam at bnl.gov
Brookhaven National Laboratory
 

On 4/16/20, 12:08, "autodock-bounces at scripps.edu on behalf of Saravanan Rajamanikam" <autodock-bounces at scripps.edu on behalf of saravapj at gmail.com> wrote:

    Dear Researcher
    I am Saravanan from tamilnadu, india,
    i am Successfully getting output while docking small molecule like
    simvastatin, etc.using Autodock
    but i am not able to dock small molecule like
    Aluminium phosphate
    [image: image.png]
    Almasilate
    [image: image.png]
    Aminophylline
    [image: image.png]
    Kindly send me the protocol for the same
    
    
    Thanks in advance
    




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