From: "Michael Shirts" <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <[EMAIL PROTECTED]>
To: [EMAIL PROTECTED]
Subject: [gmx-users] Re:overcome the integration problem (installing CVS)
Date: Wed, 11 Apr 2007 16:39:20 -0400
How about total energy? In t
How about total energy? In tends to be constant in NVE simulations. I
don't know what the conserved property would be in an NVT simulation.
David.
For most algorithms that give correct ensembles, there are
pseudo-energy properties that are conserved. For NVE, it's obviously
the energy. For Nos
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