I extracted [was instructed to extract] trajectory frames at every 10 ps from a
10ns xtc file and energy minimized each of them. How do I cluster them?
I tried to do "ls *.gro | gmx cluster -f {.}.gro ", did not work.
I concatenated the frames and made an xtc file and tried to cluster it in
MSMbuilder which did not work. Clustering it in gmx cluster would require a tpr
file which is not there for this trajectory. What do I do?
--
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.
