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
Dear members of PyMol community, is there any way to perform energy
minimization in PyMol after mutagenesis and choosing the rortomer? I didn’t
find anything on PyMolwiki website.
Thanks,
Vitaly
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