[gmx-users] impropers

prasad prasad.gajula at uos.de
Wed Oct 15 12:57:01 CEST 2003

Dear Gromacs Users,

In an aliphatic ring , if one of the ring carbon( lets say C1) is bonded to
two CH3 groups. Can we define it as improper dihedral with  C1 as the
central atom, C2 , C3 and one CH3 group. because PRODRG defined it as
improper. Is it correct?

Thank you very much!

More information about the gromacs.org_gmx-users mailing list