[gmx-users] problem by start with grompp

Justin Lemkul jalemkul at vt.edu
Thu Jan 3 13:26:55 CET 2013

On 1/3/13 7:23 AM, Alexej Mazheika wrote:
> Dear all!
> I'm new with Gromacs.
> I prepared some job for it but I cann't start with grompp. It writes me
> "Fatal error:
> Something is wrong in the coordinate formatting of file conf.gro. Note that
> gro is fixed format (see the manual)".
> What is wrong? I want to calculate a silver cluster contining 125 atoms.
> And the conf.gro file was prepared according to on-line manual of Gromacs.
> Corresponding input-files are attached here.

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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