[PyMOL] Reading Cell Dimensions from GROMACS XTC file

Hello, I would like to load a GROMACS xtc trajectory and visualize the (changing) cell size. My current workflow is: load sim.pdb load_traj sim.xtc, sim show cell This shows a cell/box but it is the wrong size and does not update every frame. Is there some way to load the proper cell

[PyMOL] Energy minimization in Pymol

Hello PyMOL users, I used gromacs (opls-forcefield) to simulate a peptide, attached here are two energy minimized structures. However, em5 was 40 KJ/mol higher in energy than em4 according to gromacs. When I minimized these two structures using clean function in pymol builder, these structures