On 02/04/11, Sai Pooja <saipo...@gmail.com> wrote: > Hi > > > > Precision mismatch for state entry nosehoover-xi, code precision is double, > file precision is float > > > > I am trying to extend an mdrun from a restart file. I get the error pasted > above. The restart file was generated on a different cluster and I am now > extending these simulations. Can this be resolved? > >
Sure. Use a single-precision version of GROMACS on the new cluster (and tell the admins that the double-precision version of GROMACS has a different executable suffix for a reason...). Mark
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