Hello, I am doing pulling simulations with GROMACS and would like to keep the chirality of the protein along the trajectory otherwise the protein will take the wrong chirality especially at long extensions. I have checked that using the improper dihedral or dihedral restraint can restrain the dihedral, but dihedral restraint is not equivalent to chirality restraint. So I am wondering if there is a "chirality restraint" somewhere in GROMACS. Otherwise I might have to modify the code...
Thanks in advance! -- Li Sun Department of Physics University of California, San Diego
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