Dear all,
I am trying to solvate a helical structure in a custom way. With solvatebox
or solvateoct of tleap we can only put a value of the buffer of solvent
from the solute surface. For example with solventbox command I get a box
size of 32.302 X 44.333 X 34.369 with a buffer of 10. However, I want a
solventbox which has buffer of 10 in all direction except towards the
C-terminus of the helix where I want a buffer of 50. 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.
Regards
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Received on Thu Oct 08 2015 - 09:00:03 PDT
