Interactions will be off, especially the bonded terms.
On Oct 15, 2013, at 7:21, Mark Abraham mark.j.abra...@gmail.com wrote:
Also, the precision was selected when the xtc file was written, ie in the
mdp file.
Mark
On Oct 15, 2013 3:24 AM, Justin Lemkul jalem...@vt.edu wrote:
On
On 10/14/13 7:56 PM, Leandro Bortot wrote:
Dear GROMACS users,
Does anyone know how significant is the difference between the
original .trr file from a simulation and a recalculated .trr from a
whole system .xtc (mdrun -rerun traj.xtc -o traj.trr)?
I mean... do you know how big
Also, the precision was selected when the xtc file was written, ie in the
mdp file.
Mark
On Oct 15, 2013 3:24 AM, Justin Lemkul jalem...@vt.edu wrote:
On 10/14/13 7:56 PM, Leandro Bortot wrote:
Dear GROMACS users,
Does anyone know how significant is the difference between the
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