[gmx-users] REMD Plots

[Joel Awuah]

Hi Shan,
I am not quite sure if you want to generate an REMD simulation mobility in
temperature space for the 30 replicas. If that be the case, then you can
use the data in the replica_temperature.xvg file to plot replica index vs
REMD steps. The 1st column in the file corresponds to the REMD steps and
2nd to 31st correspond to the mobility of replicas 0 to 29.

Hope this  helps?

cheers
Joel


On Wed, 9 Jan 2019 at 13:23, Shan Jayasinghe <shanjayasinghe2011 at gmail.com>
wrote:

> Dear Gromacs users,
>
> How do we plot a graph for temperature vs swap step number using a REMD
> simulation with 30 systems. I already generated the replica_temp.xvg and
> replica_index.xvg files using demux.pl script.
>
> Thank you.
>
> Best Regards
> Shan Jayasinghe
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-- 
Joel Baffour Awuah
PhD Candidate
*Institute for Frontier Materials*

*Deakin University*
*Waurn Ponds, 3126 VIC*
*Australia +61450070635*