[gmx-users] Delete some molecules from gro file

[Justin Lemkul]

On 12/29/12 7:03 AM, Shima Arasteh wrote:
>
>   Dear gmx users,
> I want to delete some water molecules from .gro file. When I delete them, the modified file is not readable and I can not visualize it anymore?
> Would you please guide me how I can modify a gro file?
>

Update the second line of the file, which indicates how many atoms are in it. 
If it's wrong, the file is unusable.

-Justin

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Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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