[gmx-users] Removing Water from Final Simulation

[Dallas Warren]

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.

Catch ya,

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
> water
> molecules from the resulting .gro and trajectory files for the sake of
> my
> HDD.
> 
> Does anyone know how to do this?
> 
> Cheers,
> Parker
> --
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> * Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-users-request at gromacs.org.
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists