[gmx-users] dihedral potential structure

Hello gromacs users, I want to ask a simple thing, which nevertheless is not really clear to me, but it's sometimes too important. For instance, I have in my molecule torsinal angle around a double bond: -C-C(H)=C(H)-C-. The dihedral potential contains following four parts: -C-C=C-C-, a U1 fro

[gmx-users] dihedral potential structure

Hello gromacs users, I want to ask a simple thing, which nevertheless is not really clear to me, but it's sometimes too important. For instance, I have in my molecule torsional angle around a double bond: -C-C(H)=C(H)-C-. The dihedral potential contains following four parts: -C-C=C-C-, a U1 from t