Re: [gmx-users] Silly little question about PMF - g_wham

Eudes Fileti wrote: Hi gmx-users, How do I plot the repulsive part of the PMF between two molecules that are approaching? I have achieved very good curves, but the potential never exceeds the coordinate reaction axis, stopping exactly at 0. The PMF always starts with zero assigned at the le

[gmx-users] Silly little question about PMF - g_wham

Hi gmx-users, How do I plot the repulsive part of the PMF between two molecules that are approaching? I have achieved very good curves, but the potential never exceeds the coordinate reaction axis, stopping exactly at 0. Bests eef ___ Eudes Eterno Fileti Institut