[gmx-users] dummy constant calculations
David van der Spoel
spoel at xray.bmc.uu.se
Fri Nov 12 13:15:07 CET 2004
On Fri, 2004-11-12 at 12:17 +0200, Arturas wrote:
> I checked 'tip5p.itp' file for how dummies were constructed.
> Where I could find explanation how constants a, b , etc. are
> calculated for topology ?
> There are entries like | xOH1 + xOH2 | and so on. xOH1 - does it
> correspond to the O-H bond length ?
Yes, but do check the manual as well...
> with respects
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David van der Spoel <spoel at xray.bmc.uu.se>
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