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

From: Ling Zhang <lz267.nyu.edu>
Date: Mon, 29 Dec 2003 16:12:47 -0500

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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Received on Wed Jan 14 2004 - 15:53:13 PST
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