[gmx-users] How to concatenate tpr files?

Mark Abraham mark.j.abraham at gmail.com
Wed Jan 25 10:59:52 CET 2017


Measuring a root mean square deviation requires knowing what conformation
you want to measure a deviation from, which doesn't have to come from any
tpr, either. Preferably you should know what you'll learn from that
measurement, too.


On Wed, 25 Jan 2017 09:41 leila karami <karami.leila1 at gmail.com> wrote:

> Dear Justin and Erik,
> Thanks for your answers.
> How to resolve my problem? How to obtain a reasonable RMSD curve from
> 10 consecutive MD runs? How to make an appropriate tpr for calculating
> Best,
> --
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