AMBER: rms

From: Gustavo Pierdominici Sottile <>
Date: Wed, 16 Feb 2005 10:14:50 -0300

  I have already written about the problem with the rms and I was asked if I
have a duplex. The answer is yes. the system is composed of two polipeptide
chains and 6000 water molecules. The number of atoms is 30000. You told me
that the problem could be the removel of the CM motion. What does it mean? I
havenīt seen the dynamics but the first and the last structure look nice. It
would be strange there exists a big problem in the middle
Thanks in advance

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Received on Wed Feb 16 2005 - 13:53:00 PST
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