[gmx-developers] When to use AWH with multidir?

Semen Esilevsky yesint4 at yahoo.com
Fri Jun 1 14:45:22 CEST 2018

 Dear All,AWH algorithm which appeared in version 2018.1 works very well for me for computing PMFs, but I can't understand in which situations one should use it with -multidir option.Is this for sampling "long" reaction coordinates in a piece-wise manner (something like an umbrella sampling)? Or may be for other reasons? There is no information about this in documentation.Could anybody clarify this and possibly provide an example of multidir simulation with AWH?It would also be very useful to elaborate on this in the docs since for now it is not clear at all for the user.


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