kay.gottschalk at weizmann.ac.il
Sun Jul 6 17:45:01 CEST 2003
I want to use g_sorient to describe the orientation of 2 different
subsets of water around my protein. I am not quite clear how the index
file has to look like; do I have to use an index file with molecule
numbers (as for g_msd), or with the atom number of the oxygen or with
all atom numbers of the water molecules considered?
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