AMBER Archive (2009)

Subject: [AMBER] no equilibrium

From: Nancy (nancy4619_at_163.com)
Date: Mon May 18 2009 - 21:44:03 CDT


Dear all,

 I am doing simulation about water conduction through carbon nanotubes .Periodic boundary and TIP3P water are used, but no matter how long I simulate ,there no equilibrium ,because most water molecules become very dispersive and go far away ,even out of sight .I doní»t know what is wrong ,can anybody give me some advice ?Thanks in advance!

Nancy










_______________________________________________
AMBER mailing list
AMBER_at_ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber