i want to calculate the order prameter between two carbon atom namrd C01 and C03 in my topology file but while calculating, i am getting the following error.
Taking z axis as normal to the membrane Reading file nvt.tpr, VERSION 2019.1 (single precision) Using following groups: Groupname: System First atomname: C01 First atomnr 0 Groupname: Other First atomname: C01 First atomnr 0 Groupname: EMI First atomname: C01 First atomnr 0 Groupname: NSC First atomname: NBT First atomnr 760 Groupname: Water First atomname: OW First atomnr 1360 Groupname: SOL First atomname: OW First atomnr 1360 Groupname: non-Water First atomname: C01 First atomnr 0 Groupname: C01 First atomname: C01 First atomnr 0 Groupname: C04 First atomname: C04 First atomnr 1 Groupname: C03 First atomname: C03 First atomnr 2 Groupname: H07 First atomname: H07 First atomnr 3 Groupname: H09 First atomname: H09 First atomnr 4 Groupname: H08 First atomname: H08 First atomnr 5 Groupname: C05 First atomname: C05 First atomnr 6 Groupname: H0B First atomname: H0B First atomnr 7 Groupname: H0C First atomname: H0C First atomnr 8 Groupname: H0D First atomname: H0D First atomnr 9 Groupname: N00 First atomname: N00 First atomnr 10 Groupname: C06 First atomname: C06 First atomnr 11 Groupname: H0F First atomname: H0F First atomnr 12 Groupname: C0N First atomname: C0N First atomnr 13 Groupname: H0O First atomname: H0O First atomnr 14 Groupname: H0P First atomname: H0P First atomnr 15 Groupname: H0Q First atomname: H0Q First atomnr 16 Groupname: N02 First atomname: N02 First atomnr 17 Groupname: H0E First atomname: H0E First atomnr 18 Groupname: NBT First atomname: NBT First atomnr 760 Groupname: SBT First atomname: SBT First atomnr 761 Groupname: OBT First atomname: OBT First atomnr 763 Groupname: CBT First atomname: CBT First atomnr 764 Groupname: F1 First atomname: F1 First atomnr 768 Reading frame 0 time 0.000 Number of elements in first group: 10360 ------------------------------------------------------- Program: gmx order, version 2019.1 Source file: src/gromacs/gmxana/gmx_order.cpp (line 546) Fatal error: grp 1 does not have same number of elements as grp 1 can anybody help. Thanks -- 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.
