zeroMomentum for water droplet

From: Mihaela Drenscko (quo.physics_at_gmail.com)
Date: Tue Dec 03 2013 - 17:38:43 CST

Hi,

I found that if I use zeroMomentum for water droplet on graphite, I can
prevent drifting of water molecules towards adjacent cells. I keep the
Carbon atoms fixed, that why when I run simulation with namd, I get the
following message:

------------- Processor 0 Exiting: Called CmiAbort ------------
Reason: FATAL ERROR: Cannot zero momentum when fixed atoms are present.

Charm++ fatal error:
FATAL ERROR: Cannot zero momentum when fixed atoms are present.

Aborted (core dumped)

How do I fix it?

Thank you.

Mihaela Drenscko

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