Re: [gmx-users] Urey bradley term in the sum of energies

Nicolas SAPAY wrote: Hello everybody, I've got an awful doubt on how the Urey-Bradley (UB) term is taken into account in the potential energy. When an angle has got regular and UB parameters, how this will appear in the .edr file? If you have a force field with both angle function 1 and angle

[gmx-users] Urey bradley term in the sum of energies

Hello everybody, I've got an awful doubt on how the Urey-Bradley (UB) term is taken into account in the potential energy. When an angle has got regular and UB parameters, how this will appear in the .edr file? The angle energy will only appear in the UB term only or it will be splitted between Ang