[gmx-users] grommp warning

Shima Arasteh shima_arasteh2001 at yahoo.com
Mon Aug 13 20:08:33 CEST 2012



Dear gmx users,

I'm simulating a system of protein and water. In NPT equilibration step, I get the error of too many warnings.
Anybody knows about this warning?

The warning is : 

WARNING 1 [file NPT.mdp]:
  You are using pressure coupling with absolute position restraints, this
  will give artifacts. Use the refcoord_scaling option.

What is the error wants me to do? How can I judge to choose a correct option?
Thanks for your suggestions in advance.


Sincerely,
Shima
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