[gmx-users] The g_sdf in gromacs 3.3.3
Rongliang Wu
wurl04 at iccas.ac.cn
Wed Jul 30 12:36:41 CEST 2008
Hello, gmx-users,
when calculaing the spatial distribution functions using gromacs3.3.3,
i always get distorted reference molecule and it is far away from the isosurface when my reference molecule has more than 3 atoms, and none of the atoms are at the oringin.
the g_sdf program in gromacs3.3.3 seems problematic, and how shall i change the code?
Regards!
Rongliang Wu
wurl04 at iccas.ac.cn
2008-07-30
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