[gmx-users] REMD temperature_space

Mark Abraham mark.j.abraham at gmail.com
Thu May 3 13:32:15 CEST 2018


It sounds like you just want to use the original data, which you had before
you ran the demux script.


On Thu, May 3, 2018 at 1:28 PM Sundari <sundi6170 at gmail.com> wrote:

> Dear gromacs users,
> can anyone please suggest me that how we  get the time evolution of a
> replica (say replica_1) in temperature space and time courses of potential
> energy of each replica(  one way is md.edr file??)
> As according to GROMACS tutorial, I used demux.pl script and got two files
> replica_index.xvg and replica_temp.xvg.  But I want to analyse a single
> replica trajectory in all temperatures ( temp. on y-axis)
> Thank you in advance..
> Sundari
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