[gmx-users] distance between oxygens of hydroxils in the OPLS
spoel at xray.bmc.uu.se
Tue Jan 27 17:17:01 CET 2004
On Mon, 2004-01-26 at 15:44, Milton Taidi Sonoda wrote:
> 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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David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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