yes exactly thats what I am trying to do.. Thanks a lot for the suggestion
Ramya
On Sat, Nov 26, 2011 at 7:26 AM, wrote:
> Do you mean that you do constrained position simulations and want to know
> how to process the force? If so, read about thermodynamic integration (TI).
> I mostly work with
Do you mean that you do constrained position simulations and want to
know how to process the force? If so, read about thermodynamic
integration (TI). I mostly work with US and position restraints, but
for absolute constraints I believe that you should take the average
force at each constrai
Hi
I do constrained force simulations and i have the pullf.xvg and pullx.xvg
files.. I want to know how to calculate the force for each simulation and i
how to integrate the forces.. can some one help me.
Ramya
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