[AMBER] Can we specify the length and width of the water box in LEaP ?

From: Xing <stecue.gmail.com>
Date: Mon, 11 Sep 2017 19:27:45 -0400

Dear all,

I'm doing some steered MD calculations and the waterbox become elongated in the x and y direction, and the solute will "touch" each other eventually. I'm thinking to increase the initial length and
width of the box (but not the height) to avoid the situation. Can we do this in xleap? The "solvatebox" command I used only supports a "closeness" parameter and it will increase the size of the box in
all 3 dimensions. 

-- 
Sincerely yours
Xing
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Received on Mon Sep 11 2017 - 16:30:03 PDT
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