AMBER Archive (2008)

Subject: AMBER: running AMBER in NAMD Trucated Octahedron

From: Seth Lilavivat (sethl_at_gatech.edu)
Date: Mon Jan 14 2008 - 16:19:05 CST


Dear Amber Users,

I am running an AMBER simulation using NAMD. Is there a way to use the
trucated octahedron water box that I created using leap? If so, how would I
calculate the correct Cell Basis Vectors and PME Grid Size for my NAMD
configuration file correctly?

Thanks,
Seth

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