[gmx-users] 9-oder cosine series of dihedral angle

Tom dnaafm at gmail.com
Tue Dec 4 18:29:01 CET 2012

Dear Gmx Developer and Users,

*Is it possible for gromacs to use an 8-order or 9-oder cosine series for
dihedral angle computations?*

>From the menue, (Page 125, the table of Intramolecular Interactions
there is one
interaction type       directive     # at.       f. tp
proper dih. multi      dihedrals     4           9

There is not detailed explanation about the format of these assignment in
ffbonded.itp of oplsaa.ff
*Can any one give an explanation about the format of typing these
parameters for 9-oder cosine series dihedral angle?*



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