AMBER Archive (2006)

Subject: AMBER: Setting box dimensions in leap

From: Jennie Thomas (jenniet_at_uci.edu)
Date: Fri Apr 28 2006 - 17:42:38 CDT

Hello Amber users,

I'm using leap to build a system that has the following cell dimensions:

a = 15.198A
b = 15.198A
c = 16.580A

alpha = 90 deg
beta = 90 deg
gamma = 120 deg

I can set the box dimensions using:
set sys box {15.198 15.198 16.58}

But, how do I specify the angles? Should I just fix them in the
resulting coordinate file?

Thanks so much!
Jennie Thomas
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