I tried by that. But i was suffering for making .xyz file for my system because I have lots number of frame around 8000. Can you tell me how can I make that kind of fu.XYZ .
Thank you On Tue, Nov 19, 2019, 16:23 Christian Blau <b...@kth.se> wrote: > Hi Omar, > > > Though I don't know of any GROMACS tool that can calculate the local > structure index, some third-party tool might help, like > > https://pypi.org/project/iOrder/ > > > The input file format for above tool is .xyz which you can obtain from a > GROMACS trajectory using the MDAnalysis tools here: > > > https://www.mdanalysis.org/docs/documentation_pages/coordinates/XYZ.html#xyz-format > > > Best, > > Christian > > On 11/11/19 4:40 AM, Omkar Singh wrote: > > Hi everyone, > > I want to find out LSI (local structural Index) for my protein water > > system. Can anybody help me regarding this issue? > > > > Thank you > -- > 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.