[gmx-users] umbrella pulling, pullx vs gmx distance

Hello experts, First, I want to mention that I am using Gromacs 2018.1. I was wondering what the differences between pullx.xvg and gmx distance are. "pullx.xvg" is the output of an umbrella sample mdrun. "distance.xvg" is the output of the following command (I am comparing the z-component

Re: [gmx-users] umbrella pulling, pullx vs gmx distance

bump! On Mon, Aug 6, 2018 at 6:10 PM, Joe Wu wrote: > Hello experts, > > First, I want to mention that I am using Gromacs 2018.1. > > I was wondering what the differences between pullx.xvg and gmx distance > are. > > "pullx.xvg" is the output of an umbr

[gmx-users] pull COM code pullx.xvg vs gmx distance

Hello, I was wondering what the differences between pullx.xvg and gmx distance are. "pullx.xvg" is the output of an umbrella sample mdrun. "distance.xvg" is the output of this command (I am comparing the z-component distance): gmx distance -s umbrella01.tpr -f umbrella01.trr -oxyz dist.xvg

[gmx-users] Flat bottom position restraints

Hi Justin (or anyone else who can help), There was a post where Justin told us to look through the archive for detailed steps as to how to set up flat bottom restraints, but I cannot find it. I've been looking through the entire archive for that post where he explains in detail. Can anyone help