On Mon, May 22, 2017, Ramin Salimi wrote:
> Is there any such possibility that we make a specific set of three
> dimensions for the box with a specific number N of water molecules when
> we are working in Leap trying to make .prmtop, and .inpcrd files? For
> example, I wanna make 13000 water molecules in a 70*70*70A0 box. Do we
> have any such capability?
Yes: look at the AddToBox program, which does exactly that. You can specify
any box size and number of water molecules.
....dac
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Received on Mon May 22 2017 - 06:30:03 PDT
