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.