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From: | Lorenzo Isella |
Subject: | Re: [ESPResSo] Re: Radius of Gyration |
Date: | Sun, 09 Dec 2007 11:33:33 +0100 |
User-agent: | Icedove 1.5.0.14pre (X11/20071020) |
Hello,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.
Cheers Lorenzo 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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