[gmx-users] "pressure scaling more than 1%"

[Semen Esilevsky]

Dear all,
Yet another stupid question:
When I'm trying to run a simulation of DMPC monolayer
it works Ok. When I combined two such monolayers into
bilayer I got the following:

Step 7  Warning: pressure scaling more than 1%, mu:
-0.273916 -0.273916 -0.273916

And in the log file there is an endless sequence of
messages:

Correcting invalid box:
old box (3x3):
   old box[    0]={-1.45079e+00,  0.00000e+00,
-0.00000e+00}
   old box[    1]={ 0.00000e+00, -1.45079e+00,
-0.00000e+00}
   old box[    2]={ 0.00000e+00,  3.50561e+04,
-1.81349e+00}
new box (3x3):
   new box[    0]={-1.45079e+00,  0.00000e+00,
-0.00000e+00}
   new box[    1]={ 0.00000e+00, -1.45079e+00,
-0.00000e+00}
   new box[    2]={ 0.00000e+00,  3.50575e+04,
-1.81349e+00}
Correcting invalid box:
old box (3x3):
   old box[    0]={-1.45079e+00,  0.00000e+00,
-0.00000e+00}
   old box[    1]={ 0.00000e+00, -1.45079e+00,
-0.00000e+00}
   old box[    2]={ 0.00000e+00,  3.50575e+04,
-1.81349e+00}
new box (3x3):
   new box[...

What is it and how to fix it?
Thank you in advance.

Semen


		
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