The g_order tool requires a unique sort of index group. There's lots of
discussion about it documented in the list archives. In short, you need to use
make_ndx to generate an index file that contains _only_ groups pertaining to the
carbon atoms you want to analyze, separated by chain (i.e., sn1.n
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
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