Re: [gmx-users] Umbrella sampling - Pull distance is larger than 0.49 times box size error

.ku...@ucdconnect.ie> Date: 28/1/18 12:53 am (GMT+10:00) To: gmx-us...@gromacs.org Subject: [gmx-users] Umbrella sampling - Pull distance is larger than 0.49 times box size error Hi, I'm doing umbrella sampling and running into the above error. I can't really increase the box size as that woul

[gmx-users] Umbrella sampling - Pull distance is larger than 0.49 times box size error

Hi, I'm doing umbrella sampling and running into the above error. I can't really increase the box size as that would make the system too big nor can I use pull-geometry = direction-periodic as I need to use NPT. But I'm confused on why I get this error in the first place because my periodic box