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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