[gmx-users] Selection/modifying tpr file

[Justin Lemkul]

On 1/19/20 5:24 AM, Roshan Shrestha wrote:
> Dear all,
>                I have a large system, but I want to extract only certain
> information from the tpr like make certain selection using index file. Is
> there any way I can extract certain information from the tpr file and save
> it as another tpr file? Thanks

You can select a subset of the system via convert-tpr with a suitable 
index file. All other information (topology, force field, run settings) 
will stay the same.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
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Virginia Tech Department of Biochemistry
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jalemkul at vt.edu | (540) 231-3129
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