[gmx-users] g_order and gromacs 5.0

sa sagmx.mail at gmail.com
Sat Sep 6 14:24:42 CEST 2014

Hi All,

I would like to compute the SCD parameters of the DOPC sn1 and sn2 chains
in membrane simulated with the CHARMM36 force field with "gmx order" tool
of GMX5.0. To know how to do that, I have searched on the mailing list and
came across the thread of T. Piggot about problems with g_order and
unsaturated chain.

C. Neale has proposed a patch, So I wonder if this patch was included in
the current release of GROMACS and that, now, gmx order computes correctly
the order parameters of unsaturated phospholipids ?



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