[gmx-users] pressure scaling more than 1%

[Wang Qin]

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?

Regards,
Qin
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070808/65051fa5/attachment.html>