AMBER: system size limit

From: Guanglei Cui <>
Date: Mon, 24 Jan 2005 00:54:06 -0500

Dear AMBER Users,

I have a question about the upper limit of system size that sander8 can
handle. Is it possible to model the size of a few hundred thousands of
atoms? I tried the system on two different hardware setups. On Lemieux,
it says "error: EXCLUDED_ATOMS_LIST not found in parm file". On a local
cluster, it goes slightly further, but generates no more output after
reading group definition in a few hours (ntpr = 50) ... Your input is
highly appreciated.

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Received on Mon Jan 24 2005 - 06:53:00 PST
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