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

lan hoa Trinh trinhlanhoa at gmail.com
Fri Jun 16 22:22:14 CEST 2017


*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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