From rhennig at pacific.mps.ohio-state.edu  Tue Nov  9 13:45:37 2004
From: rhennig at pacific.mps.ohio-state.edu (Richard Hennig)
Date: Wed Jan 12 17:49:15 2005
Subject: [Ohmms-dev] question MD with Ohmms (fwd)
Message-ID: <Pine.LNX.4.58.0411091443480.17688@timor>

---------- Forwarded message ----------
Date: Tue, 9 Nov 2004 13:42:02 -0500 (EST)
From: Du Yaojun <dyj@pacific.mps.ohio-state.edu>
To: rhennig@campbell.mps.ohio-state.edu
Subject: question MD with Ohmms

Hey Richard


I run the MD with 2840 atom at /king/home/dyj/OHMMS/MD/I4c+36i

/oahu/disk2/dyj/tvn.10.xml is the script

/oahu/disk2/dyj/sample are the first 300 output.

It seems that some of atoms blow away from the bulk.

What shall I add in the script in order to keep every atom in the bulk?

Thanks
Yaojun