Dear Amber users,
I would like to know if it is possible to define a position for the center of mass (COM) of the solute in a simulation box by using the xleap/tleap programs. I'm asking it since I saw that in the Gromacs package one can define a position for the COM of a solute, for example at (3.280, 2.181, 2.4775)nm in a box dimensions (6.560, 4.362, 12.000) nm. If so, could someone help me ?
Sincerely,
Eduardo.
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Received on Thu Dec 24 2020 - 05:30:02 PST
