[gmx-users] distance between oxygens of hydroxils in the OPLS

Milton Taidi Sonoda msonoda at iqm.unicamp.br
Mon Jan 26 15:46:01 CET 2004

Hi all
I'm having problems with oxygens of diferent hydroxils of
a carbohydrate molecule. I'm using OPLS forcefield and
this oxygens are 1-4 bonded neighbor. They are aproaching
at distances as close as 0.12 nm from eachother, however their
vdw sigma parameter are 0.307 nm. Distances like this makes
the hydrogen of the hydroxil ill-behaved.
Does anyone have advice to give?
Thank you in advance.
Milton Taidi Sonoda

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