[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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