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
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
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
--
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