Re: [gmx-users] Choosing more PMF-windows

Ok thanks! On Sun, Jul 31, 2011 at 5:54 AM, Justin A. Lemkul wrote: > > > Shay Teaching wrote: > >> Distance of zero between COM of pull_group0 and pull_group1? >> >> > Yes. The x-axis of the histogram plot indicates the distance along the > reaction coordinate. > > -Justin > > On Sun, Jul 31,

Re: [gmx-users] Choosing more PMF-windows

Shay Teaching wrote: Distance of zero between COM of pull_group0 and pull_group1? Yes. The x-axis of the histogram plot indicates the distance along the reaction coordinate. -Justin On Sun, Jul 31, 2011 at 5:46 AM, Justin A. Lemkul > wrote: Shay Teaching

Re: [gmx-users] Choosing more PMF-windows

Distance of zero between COM of pull_group0 and pull_group1? On Sun, Jul 31, 2011 at 5:46 AM, Justin A. Lemkul wrote: > > > Shay Teaching wrote: > >> Dear GROMACS users, >> >> I have recently completed running several PMF-windows. >> After viewing the histrogram file it seems that I need better

Re: [gmx-users] Choosing more PMF-windows

Shay Teaching wrote: Dear GROMACS users, I have recently completed running several PMF-windows. After viewing the histrogram file it seems that I need better sampling at some positions, but the histogram file starts at z=0. Is there any way to prevent g_wham from starting at 0, and instead sh

[gmx-users] Choosing more PMF-windows

Dear GROMACS users, I have recently completed running several PMF-windows. After viewing the histrogram file it seems that I need better sampling at some positions, but the histogram file starts at z=0. Is there any way to prevent g_wham from starting at 0, and instead show the real Z-coordinates