maximum number of atoms per patch

From: Branko (bdrakuli_at_chem.bg.ac.rs)
Date: Sun Feb 27 2011 - 12:21:56 CST

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Hi,

I have a big water cluster (~ 3.5 million atoms) and try to minimize
whole system. NAMD 2.7 runing under Linux on 16 procesors (two nodes),
after proper initiation of simulation, next error could be found in out
file and simulation is disrupted: "FATAL ERROR: patch has 187437 atoms,
maximum allowed is 65535". Any suggestion is welcomed. namd file is
attached.

Branko

• text/plain attachment: voda2.namd

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