Re: [gmx-users] restrain COM of a group of atoms

: [gmx-users] restrain COM of a group of atoms I do now know what authors meant. However, the COM-COM pulling implies that one group is restrained and another group moves relative to it. So, the COM of the reference group is already fixed in the pull code. On Sun, Jul 5, 2015 at 4:02 AM, Ming

[gmx-users] restrain COM of a group of atoms

Dear Gromacs experts and users, I am here to seek help. I want to use constraint pull method to pull a filament. My plan is to keep the center of mass of one group fixed through a stiff restraint, say 3×10e5, and pull the other group. I tried to generate the restraint .itp file and modify the

Re: [gmx-users] restrain COM of a group of atoms

I do now know what authors meant. However, the COM-COM pulling implies that one group is restrained and another group moves relative to it. So, the COM of the reference group is already fixed in the pull code. On Sun, Jul 5, 2015 at 4:02 AM, Ming Tang qut20181...@gmail.com wrote: Dear Gromacs