On Thu, Oct 08, 2015, Nicholus Bhattacharjee wrote:
>
> So considering helix
> axis to be in the Y direction the box size will be somthing like 32.302 X
> 84.333 X 34.369. Can it be done with the tleap? Thank you for the help.
Yes, LEaP can do this: the "buffer" argument can be a list of three
numbers, which are the buffer values to use in the x,y,z directions.
Inside tleap, type "help solvateBox" to see a much fuller description of
this option.
....dac
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Received on Thu Oct 08 2015 - 10:00:03 PDT
