Re: [gmx-users] g_wham position 0

Hi, the key Umb. Pos. 0.0 indicates the the umbrella center of this simulaiton is at 0.0, not that the profile should starts at zero. Beginning and end of profile are set with -min -max. cheers, Jochen Am 3/22/12 7:03 PM, schrieb rainy908: Hi all, I am experiencing a potential problem wi

[gmx-users] g_wham position 0

Hi all, I am experiencing a potential problem with my PMF curve not starting at position 0 of the reaction coordinate, which is defined by a path starting from 0.0 nm and ending at 0.5 nm. When I run the GROMACS g_wham analysis at Umb. Pos 0.0 (see below), to say, 0.02 nm, the PMF curve doesn't s