On Fri, Sep 14, 2007, Anselm Horn wrote:
>
> However, when I try to read in the dipole positions and velocities
> during a restart with IRSTDIP=1, sander crashes and issues an Fortran error:
It's hard to help since you didn't provide the input you used. Just a guess:
the "irstdip" variable is in the &ewald namelist, not in &cntrl. Is is
possible that you have it in the wrong place?
....dac
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Received on Sun Sep 16 2007 - 06:07:36 PDT
