Dear gromacs users, I've performed umbrella sampling using 2 reaction
coordinates (of the same geometry and dimensions and which I previously
used for pulling in two phase spaces). Now I am trying to recover the PMF.
Does g_wham support this scheme? Is it correct to obtain a 1D PMF by
supplying g_wham with pullf and pullx files obtained from a 2 reaction
coordinate pulling setup? Thank you.
Gromacs Users mailing list

* Please search the archive at before posting!

* Can't post? Read

* For (un)subscribe requests visit or send a 
mail to

Reply via email to