[gmx-users] PBC issue

Dear all, I pulled a protein using pdc=xyz, and want to do unloading simulation. The problem is both ends of the protein run out of the boundary after pulling. After unloading for a while, I found that both ends did not connect to where they should connect. Is there a way that I can

[gmx-users] end to end relative rotation of DNA

Dear gromacs users, I am stretching the COM of 2 first residues and 2 last residues of a DNA double helix using umbrella pulling method . Is there a command to calculate the relative rotation between both ends? thanks in advance. -- Gromacs Users mailing list * Please search the archive at