[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
Definition)
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?*
Thanks,
Tom
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