[gmx-users] Umbrella Sampling Force component output

[Kenny Bravo Rodriguez]

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 <kenny at mpi-muelheim.mpg.de> 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:kenny at mpi-muelheim.mpg.de