Thanks Erik
On 06/12/2013 01:50 PM, Erik Marklund wrote:
Hi,
No, I'm afraid not. pull-dim not only determines what components are to be
printed, it also determines in what dimensions the force is to be applied
during the simulation.
Erik
On 12 Jun 2013, at 13:32, Kenny Bravo Rodriguez <[email protected]>
wrote:
Dear Gromacs Users,
I runned and Umbrella Sampling simulation but I made a mistake in the value of
the pull_dim option, so gromacs printed the z component of the force instead of
the x component that i need (with the option -pf of mdrun). I have all files
from the simulation.
Is there a way to get the x component of the force without running the
simulation again?
Thanks in advanced,
Kenny
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Kenny Bravo Rodriguez
Max-Planck-Institut für Kohlenforschung
Kaiser-Wilhelm-Platz 1
D-45470 Mülheim an der Ruhr
Germany
Phone: +49 (0)208 306 2160
Email:[email protected]
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