[gmx-users] SETTLE constraint

amitbehra at chemeng.iisc.ernet.in amitbehra at chemeng.iisc.ernet.in
Mon Jul 4 10:48:47 CEST 2016

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Hello users,
I was going through a literature ( dx.doi.org/10.1021/ct300342n ). Here
they use GROMACS 4.5 version and use SETTLE constraint for bonds in water
I wanted to know how can I apply SETTLE method in GROMACS 5.1.2.

Regards,
Amit Behera

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