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Distortion of water layer
#14258 05/03/07 08:11 AM
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mou Offline OP
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During equlibration of a hydrated lipid bilayer( using NVT,3-D image defining a orthorhombic crystal,at 298K )water layer gets elongated along membrane normal, becomes curvy & amount of distortion increase with increase of simulation time. Please suggest any solution of this problem .

Re: Distortion of water layer
mou #14259 05/03/07 06:01 PM
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rmv Online Content
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Your brief description does not provide enough detail to suggest a cause.

Re: Distortion of water layer
mou #14260 05/03/07 07:02 PM
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Calculate the density of your system; it should be slightly greater than 1.0 gm/cc (e.g. 1.05).


Moderated by  BRBrooks, lennart, rmv 

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