[gmx-users] sugar dihedral parameters

Hi, In the ATB-distributed 53a6_carbo_new.dat, there are more than one set of parameters specified for some dihedral angles. For example, O5-C5-C6-O6 has a 1-fold term as gd_5, and a 3-fold term gd_37; C3-C2-C1-O5 has a 2-fold term as gd_17, and a 3-fold term as gd_34. So which one should I

Re: [gmx-users] sugar dihedral parameters

Yun Shi wrote: Hi, In the ATB-distributed 53a6_carbo_new.dat, there are more than one set of parameters specified for some dihedral angles. For example, O5-C5-C6-O6 has a 1-fold term as gd_5, and a 3-fold term gd_37; C3-C2-C1-O5 has a 2-fold term as gd_17, and a 3-fold term as gd_34. So