Re: AW:

From: flavio seixas (
Date: Wed Nov 26 2014 - 09:53:23 CST

Hi Norman,
You give me the clue I needed.
Problem solved.

Thank you.


 From: Norman Geist <>
To:; 'flavio seixas' <>
Sent: Wednesday, November 26, 2014 6:26 AM
Subject: AW:

Did you wrap in VMD or
in NAMD ?
Norman Geist.
[] Im Auftrag von flavio seixas
Gesendet: Mittwoch, 26. November 2014 02:13
An: Namd Mailing List
During a simulation, the protein crossed the periodic box.
When analyzing the RMSD, I realized that this fact interfered in the
calculation because rmsd was stable until half simulation. When protein cross
the periodic border, the rmsd value abruptly increase 10 times.
I searched for similar questions in namd-list but nothing was found.
Any suggestions on how to compensate this fact?

grateful for any help


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