[gmx-users] How to remove the water molecules?

Tsjerk Wassenaar tsjerkw at gmail.com
Tue May 12 08:41:33 CEST 2015

Hi Surya,

Non-Water is a default index group. Just select that when running trjconv.



On Tue, May 12, 2015 at 8:34 AM, Seera Suryanarayana <palusoori at gmail.com>

> Dear gromacs users
> I have simulated a protein for 500ns in solvent system. I want to remove
> water molecules from the system to further analysis. I have gone through
> the manual, but I couldn't find how to remove water molecules. Kindly tell
> me how can I do it.
> Thanks in Advance
> Surya
> Graduate student
> India.
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Tsjerk A. Wassenaar, Ph.D.

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