[gmx-users] How to analyze order parameter

anirban polley polley.anirban at gmail.com
Thu Jul 3 11:10:29 CEST 2008

         I want to find deuterium order parameter of the system of

    g_order -f traj.trr -s topol.tpr -n index.ndx -dt 0.001
   it gives the following error:

Taking z axis as normal to the membrane
Reading file topol.tpr, VERSION 3.3.3 (single precision)
Using following groups:
Groupname: System First atomname: C1 First atomnr 0
Groupname: DPP First atomname: C1 First atomnr 0
Groupname: SM First atomname: C1 First atomnr 1000
Groupname: CHOL First atomname: C1 First atomnr 2000
Groupname: SOL First atomname: OW First atomnr 2580

trn version: GMX_trn_file (single precision)
Reading frame       0 time    0.000   Number of elements in first group:

Program g_order, VERSION 3.3.3
Source code file: gmx_order.c, line: 360

Fatal error:
grp 1 does not have same number of elements as grp 1


   How can I analyze the order parameter my system? Can you answer my
   I don't understand what to do.
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