AMBER Archive (2007)

Subject: Re: AMBER: FF02: sander problem with irstdip=1

From: David A. Case (case_at_scripps.edu)
Date: Fri Sep 14 2007 - 09:59:26 CDT


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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