Re: [gmx-users] saving velocities and coordinates frequently

2011-02-17 Thread Mark Abraham
On 18/02/2011 12:21 PM, Amit Choubey wrote: Hi , I wish to save velocities and coordinates every step for my system. For saving disk space i dont want to save water molecules. How can i do this ? See www.gromacs.org/Documentation/How-tos/Reducing_Trajectory_Storage_Volume Mark -- gmx-users

Re: [gmx-users] saving velocities and coordinates frequently

2011-02-17 Thread Justin A. Lemkul
Amit Choubey wrote: Hi , I wish to save velocities and coordinates every step for my system. For saving disk space i dont want to save water molecules. How can i do this ? There is no such option for writing to .trr files, only .xtc files, which do not contain velocities. Implicit solv

[gmx-users] saving velocities and coordinates frequently

2011-02-17 Thread Amit Choubey
Hi , I wish to save velocities and coordinates every step for my system. For saving disk space i dont want to save water molecules. How can i do this ? Amit -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http:/