[AMBER] AMBER Question: Setting box angle in tleap

From: <naruto620.hotmail.com.tw>
Date: Wed, 5 Nov 2014 09:22:48 +0000

Dear Amber users,



Sorry I'm using this Amber system for not a long time, and I was from Taiwan so
my English is pretty basic, please don't mind. Recently, I meet a problem, and I don't know how to
 resolve it.I would like to asked about how can I specify the box
angle when I want to minimize the job ?

I'm using tleap to build a system that following
cell dimensions:



a =23.46A

b = 23.46A

c = 22.09A



alpha = 90 deg

beta = 90 deg

gamma = 120 deg



I know how to set the box system :

>> set m box {23.46 23.46 22.08}



But, how can I specify the angles?

I am grateful for your help.















                                                                                                                                                                                             
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Received on Wed Nov 05 2014 - 01:30:02 PST
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