AMBER Archive (2003)

Subject: AMBER: The lost velocities in the restart file generated by Ptraj

From: Ling Zhang (lz267_at_nyu.edu)
Date: Mon Dec 29 2003 - 15:12:47 CST


Dear all,

The restart file generated from the trajectory file by Ptraj lose the information of velocities and all the velocities are reset to zero. Is there a way to obtain the velocities from the mdvel file and add to the restart file, so that, MD simulation can continue? Thanks alot.

Best,
Ling
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