Hi all, I'm running umbrella sampling of an ion through a lipid bilayer with gromacs 4.5.1. I used g_wham to create the histograms of the configurations within the umbrella sampling windows (1 Angstrom interval). I did not get a sufficient overlap between the windows, so I was wodering which is the better way of increasing the sampling: to include additional windows in the regions where there is no overlap or to increase the force constant ? If I increase the force constant can I continue the simulation with the new constant or do I have to start again? I used a force contant of 3000 kJ mol^-1 nm^-2.
Thank you in advance, Susana
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