[gmx-users] grommp warning
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.
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