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Re: [ESPResSo-users] Question about NEMD profile

From: Limbach,Hans Joerg,LAUSANNE,Food Materials
Subject: Re: [ESPResSo-users] Question about NEMD profile
Date: Thu, 19 Jul 2012 13:31:43 +0000

Hello Heng,

Please send the script and make sure the NEMD feature is compiled in.

-----Original Message-----
From: address@hidden [mailto:address@hidden On Behalf Of Heng ZHANG
Sent: mercredi 18 juillet 2012 15:28
To: address@hidden
Subject: [ESPResSo-users] Question about NEMD profile


I am working on a system under shearing, using NEMD with fixed shear rate. Here 
are two questions I am concerning:
1: Although I set the shear rate quite high, I still cannot see the system box 
going through any deformation so far. Is it because of my codes? Which is 
simple as written in the user guide: nemd shearrate $n_slabs $shearrate .
2: I am not able to extract the profile and viscosity after each simulation 
run. I am using the codes also from the user guide: nemd profile, and nemd 
Looking forward to your insights.

yours sincerely,

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