AMBER Archive (2005)

Subject: AMBER: How to simulate a crystal structure?

From: Chunhu Tan (tanc_at_uci.edu)
Date: Tue Oct 11 2005 - 18:22:39 CDT

Dear Ambers,

     I want to simulate a crystal structure, but its unit cell is not rectangular ( Beta \= 90). So, can I set such a box in Leap and run a simulation with PMEMD? If yes, how to do that?
     Thanks in advance!

Best,
Chuck

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