[gmx-users] Removing Water from Final Simulation
Dallas.Warren at monash.edu
Mon Jun 3 03:47:34 CEST 2013
trjconv for trajectories
editconf for coordinate files
Along with an appropriately generated index file (using make_ndx) which contains the molecules you want in the output within a single group.
Dr. Dallas Warren
Drug Discovery Biology
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
+61 3 9903 9304
When the only tool you own is a hammer, every problem begins to resemble a nail.
> -----Original Message-----
> From: gmx-users-bounces at gromacs.org [mailto:gmx-users-
> bounces at gromacs.org] On Behalf Of Parker de Waal
> Sent: Monday, 3 June 2013 11:10 AM
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Removing Water from Final Simulation
> Hi GMX users!
> I just completed my first 30 ns simulation and would to remove all
> molecules from the resulting .gro and trajectory files for the sake of
> Does anyone know how to do this?
> gmx-users mailing list gmx-users at gromacs.org
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