Hi Tasneem, Please provide a complete workflow, with commands and selections.
Cheers, Tsjerk On Wed, Mar 11, 2015 at 10:31 AM, tasneem kausar <tasneemkausa...@gmail.com> wrote: > for PCA i used the g_covar followed by g_anaeig. > for g_anaeig i am using the eigenvec.trr file and averagr.pdb file > these files are generated by g_covar. > g_anaeig gives the following message; > There were 40 inconsistent shifts. Check your topology > where is the problem occured? > -- > 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. > -- Tsjerk A. Wassenaar, Ph.D. -- 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.
