[gmx-users] Re: do remd in npt enmable with warning :pressure scaling more than 1%, mu: 1.01087 1.01087 1.01087

杜波 2008dubo at gmail.com
Thu Nov 24 07:14:48 CET 2011


dear teacher,
when i do remd in npt enmable ,
there are mang warning like this
“Step 520013  Warning: pressure scaling more than 1%, mu: 1.01311 1.01311
1.01311

Step 520014  Warning: pressure scaling more than 1%, mu: 1.01087 1.01087
1.01087

Step 520014  Warning: pressure scaling more than 1%, mu: 1.01087 1.01087
1.01087
step 520100, will finish Thu Nov 24 07:53:42 2011
step 520200, will finish Thu Nov 24 07:53:42 2011”
,and at last the warning disapper.

does it effect the simulation result?

and  The evolution of temperature is abnormal.
Bodu
Bo Du
Department of Polymer Science and Engineering,
School of Chemical Engineering and technology,
Tianjin University, Weijin Road 92, Nankai District 300072,
Tianjin City P. R. China
Tel/Fax: +86-22-27404303
E-mail: 2008dubo at gmail.com
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