[gmx-users] Draining water from simulation box

[sunita at chem.iitb.ac.in]

Hi Gaurav,

You can do it by using trjconv.

trjconv -f *.trr -s *.tpr -o output.xtc
It will ask for the groups you want. There you have to specify the groups.
It will create the *.xtc file containing those groups only.

Sunita


> Dear all,
>
> After a MD simulation in water, is there a way in which we can remove the
> water from the box so that the end structure is more clearly visible.
>
> Thank you.
>
> Regards,
> Gaurav
>
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>                            Gaurav Porwal
> 		    Senior Undergraduate Student
> 		  Department of Chemical Engineering
>                          IIT Bombay, Powai
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