Re: [gmx-users] functional form of PRODRG dihedrals

Jennifer Williams wrote: Hello, I have a general question re the PRODRG server used to create topologies for gromacs. Using PRODRG for a simple alkane I get: [ dihedrals ] ; ai aj ak al fuc0, c1, m, ... 4 3 2 1 1 0.05.9 3 0.05.9 3 ; dih CAG CAE CAC

[gmx-users] functional form of PRODRG dihedrals

Hello, I have a general question re the PRODRG server used to create topologies for gromacs. Using PRODRG for a simple alkane I get: [ dihedrals ] ; ai aj ak al fuc0, c1, m, ... 4 3 2 1 1 0.05.9 3 0.05.9 3 ; dih CAG CAE CAC The dihedrals created are