Dear Shulin and Ross,
I understand that the way to solve the bubbles problem is :
1 - Run a short dynamics heat up ( i tried 0 to 120 K in 40ps)
2- Run a NPT dynamics to get the correct density (at 120 K)
3- Run again a dynamics to complete the temperature (120 to 300 K in 60ps)
Well, my problem continues because in the last step the bubbles appears again.
Best regards,
Cristian Obiol
Biological Systems Modelling
and Drug Design Research Group
University of Barcelona
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Received on Thu Jun 02 2005 - 09:53:01 PDT
