[gmx-users] saving velocities and coordinates frequently

Justin A. Lemkul jalemkul at vt.edu
Fri Feb 18 02:24:04 CET 2011

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 solvent might be an option, if appropriate for your system.


> Amit


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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