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Re: [ESPResSo] Re: Radius of Gyration

From: Lorenzo Isella
Subject: Re: [ESPResSo] Re: Radius of Gyration
Date: Sun, 09 Dec 2007 11:33:33 +0100
User-agent: Icedove (X11/20071020)

Yes, unfortunately at this point I am rather sure. For a small system, 10 particles, you can follow even by eye on VMD what is happening to your particles and I also tried extending quite a lot the integration time, but the result did not change. Obviously something is going wrong...any suggestion here is really appreciated.


address@hidden wrote:
Hi Lorenzo,

you are SURE you have ALL particles in your cluster?
If you just miss one which is still floating around
(not yet "adsorbed"), then this would give rise to
a large gyration radius.

Regards Burkhard.

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