[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.

Cheers,

Tsjerk

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

> 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.
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>



-- 
Tsjerk A. Wassenaar, Ph.D.


More information about the gromacs.org_gmx-users mailing list