i mean i can not find pdb file for peptides. On Mon, 02/01/2016 01:34 AM, Mark Abraham <mark.j.abra...@gmail.com> wrote: > 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 " > target="_blank"><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. -- Gromacs Users mailing list
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