Hi, That means the calculation failed somehow (e.g. you asked for a dihedral angle between four co-linear atoms, or divided by zero, or something like that) but we don't have any clues on why (at this stage).
Mark On Mon, Feb 1, 2016 at 6:22 AM Felix W.-H. Weng <weiweng...@gmail.com> wrote: > Dear all: > > I'm trying to calculate kinks within alpha helices using gmx bundle. I > specify 4 Ca atoms from the helix top, bottom and kink separately in the > index file. And, I've used the option -na 1. But I keep getting the results > shown below. > > @ title "Kink angles" > @ xaxis label "Time (ps)" > @ yaxis label "(degrees)" > @TYPE xy > 0 -nan > 500 -nan > 1000 -nan > 1500 -nan > 2000 -nan > 2500 -nan > 3000 -nan > 3500 -nan > 4000 -nan > 4500 -nan > 5000 -nan > ... ... > > Does anyone know what "-nan" implies? Any advice would be appreciated, > thanks in advance. > > > > Best, > Wei-Hsiang > -- > Wei-Hsiang Weng (翁偉翔) > Department of Life Sciences > Tzu-Chi University > No.701, Sec. 3, Zhongyang Rd. Hualien 97004, Taiwan > Tel.: +886-975-232-245 > -- > 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 gmx-users-requ...@gromacs.org. -- 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 gmx-users-requ...@gromacs.org.