[gmx-users] Regarding umbrella samplling

Sathish Kumar sathishk238 at gmail.com
Tue Nov 25 07:23:42 CET 2014


Hai gromacs users,

                             Can we use the direction-periodic mdp option
while running the samplling of windows instead of distance. The distance
option was giving error that

Distance of pull group 1 (15.017257 nm) is larger than 0.49 times the box
size (15.033495) .

So, for all windows can i use the option direction-periodic instead of
distance.

Thanks
Sathish


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