[AMBER] Spherical flat bottom restraint

From: M. Wong <mckwxp.gmail.com>
Date: Sun, 28 May 2017 11:41:16 +0800

Dear Amber users,

I want to create a spherical water droplet in vacuum that consists of 256
water molecules. To ensure that the evaporated water molecules will come
back, I have decided to use a flat bottom restraint. However, after reading
the manual, it seems that such a restraint can only be achieved using NMR
options. To create the required restraint files, I need to use the
makeDIST_RST program, but how can I create the 7-column file required?

Your help would be kindly appreciated.

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Received on Sat May 27 2017 - 21:00:03 PDT
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