ADL: Limitations of number of grid points (in Cygwin on Windows)

Hideya Nakamura hideyanakamura at gmail.com
Tue Jun 2 20:27:29 PDT 2009


Dear AutoDockers,

I am trying to docking simulation in relatively large grid box.
I am using Autodock on Cygwin (on Windows Vista).

I set a grid size (npts) as 100X100X100.
Even if these values are lower than maximum (126X126X126),
I found the following message in my autogrid .glg file

---------------------------------

GPF> npts 100 100 100                     # num.grid points in xyz
autogrid4: Warning! Maximum number of x-grid elements allowed is 64. Using
this value.
autogrid4: Warning! Maximum number of y-grid elements allowed is 64. Using
this value.
autogrid4: Warning! Maximum number of z-grid elements allowed is 64. Using
this value.
--------------------

And then, npts were changed automatically by autogrid.exe.
(100X100X100-->64X64X64)

Dose this mean maximum number of xyz grid points are set as 64 in my
environment?
If so, How can I change these maximum values?
Could someone give any suggestions and/or advices?

Sincerely

Hideya Nakamura


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