[gmx-users] pressure scaling more than 1%

Wang Qin qwang86 at gmail.com
Wed Aug 8 20:48:43 CEST 2007

Dear all,
          I am trying to do a FEP. In the equilibrium step, it fails after
about 500 steps with a warnning:  pressure scaling more than 1%, mu: 1.06718
1.06718 1.06718. I searched the old discussion about it and then try to
increase the tau_p to 2 till 10. But it just goes futher but still meets the
problem at the end.
          Any idea about it?

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