[gmx-users] g_order in GROMACS 3.3.2 and 3.3.1

林揚善 d93543002 at ntu.edu.tw
Wed Oct 3 09:38:30 CEST 2007

Hello, gmx developer and users:

      After modifying the source code of g_order in GROMACS 3.3.1 with Bug #84 and compiling again, I got the error message when using g_order to calculate order parameteters of POPC bilayer.
      The error message is : grp 1 does not have same number of elements as grp1.
      Command line about generating .ndx file and using g_order are listed below :

      make_ndx -f  XXX.pdb -o index.ndx              (XXX.pdb is the original structure of the system)  (I chose system or POP as my index group)
      g_order  -f YYY.pdb -n index.ndx -s ZZZ.tpr -o -od 

       It will be gotten the same error message when using GROMACS 3.3.2 version.

       Is something wrong in my process ?

       Thank you.                
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