On 2011-02-15 18.01, simon sham wrote:
Hi,
I have been trying to follow the tutorial posted by David van der Spoel
to generate the order parameters at:
https://extras.csc.fi/chem/courses/gmx2007/analysis/index.html
When I ran "g_rotacf", I got the following message:
Fatal error:
Number of index elements not multiple of 2, these can not be atom doublet.
Has anyone tried that tutorial?
Best,
Simon Sham
You need to specify a list of atom pairs, I guess N H N H etc.
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
