Re: Rigid bonds and hydrogen bonds "on" inaccurate/invalid?

From: Kamilla Kopec (ozero22_at_yahoo.co.uk)
Date: Tue Mar 18 2008 - 07:49:24 CDT

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*I mean Langevin "hydrogen off" not "hydrogen bonds off".

Kamilla Kopec <ozero22_at_yahoo.co.uk> wrote: Hi,

  I didn't pick up on the fact that "hydrogen bonds off" should be used with "rigid bonds all" during my set up and I have a couple of trajectories generated with the setting rigid bonds all and hydrogen bonds on. Could someone clarify the implications of this for the accuracy of the trajectories I have.

  Best Regards

  Kamilla

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