[gmx-users] Question about DNA simulation, To: gmx-users at gromacs.org

Chris Neale chris.neale at utoronto.ca
Mon May 28 18:50:59 CEST 2007

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Yes you need -DFLEXIBLE because you can't use constraints with em. Settle is a constraint for water.

You problem is here:

>define          =-DEFLEXIBLE

-DEFLEXIBLE is not equal to -DFLEXIBLE

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