[gmx-users] Dihedral angle parameters in Gromacs and Amber

[Mark Abraham]

Hi,

The equations and file format descriptions are all in the reference manual,
chapters 4 and 5 :-) I hope amber has them too!

Mark

On Fri, 16 Jun 2017 23:22 lan hoa Trinh <trinhlanhoa at gmail.com> wrote:

> *Dear Gromacs society,*
> *I don't know how Gromacs define and calculate the multiplicity and
> equilibrium dihedral angle? For example, in Amber, the multiplicity is 1
> and -3 but in Gromacs it is 1 and 3;  All phi0 values in gromacs are
> positive but they are negative in Amber.*
> *Thank you very much in advance.*
> *Best regards,*
> *Lan Hoa*
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