[gmx-users] about DMSO c-c bond and c-o bond in ffg53a6 force field

[wang kelvin]

Hi, everyone.

I am simulating DMSO. At fisrst ,bond parameters contain two c-c bonds,and
c-o bond ,which actually not in existence. But gmx 's force field ffg53a6
documents in top directory defines these bonds. When running mdrun
, system reminds "segmentation default". then i get these virtual bond away
, since that mdrun is ok !

Can anyone tell me why gmx define these bonds (ie. C-O bond ,C-C bond)? And
has eliminating these bonds effects on simulating result?



Any suggestion is appreciated.
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