Hi, Then it probably doesn't matter, because the code will wrap the actual angle and the reference angle to be in the same range. Maybe that range is different for the different kinds of improper dihedrals.
Mark On Sun, Sep 10, 2017 at 3:13 PM Hoa Trinh <[email protected]> wrote: > Dear Mark, > I read the chapter more than 3 times already, what I found is just "Note > that in the input in topology files, angles are > given in degrees and force constants in kJ/mol/rad 2 ." > > > *Lan Hoa* > > 2017-09-10 7:19 GMT-05:00 Mark Abraham <[email protected]>: > > > Hi, > > > > Check out the sections in chapter four of the reference manual. > > > > Mark > > > > On Sun, 10 Sep 2017 13:36 Hoa Trinh <[email protected]> wrote: > > > > > Dear Gromacs community, > > > I'd like to know what is the range of improper dihedral angle, [0,pi] , > > > [0,2pi] or [-pi, pi] ? For example, if I have an angle belonging to > > > quadrant > > > IV, should the angle be -30 or (360-30) or (180-30) degree? > > > I appreciate your help. > > > Best regards, > > > *Lan Hoa* > > > -- > > > Gromacs Users mailing list > > > > > > * Please search the archive at > > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > > posting! > > > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > > * For (un)subscribe requests visit > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > > > send a mail to [email protected]. > > > > > -- > > Gromacs Users mailing list > > > > * Please search the archive at http://www.gromacs.org/ > > Support/Mailing_Lists/GMX-Users_List before posting! > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > * For (un)subscribe requests visit > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > > send a mail to [email protected]. > > > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to [email protected]. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to [email protected].
