Dear Amber,
I want to extract several frames from a trajectory file use as restart file (.rst ) for QM/MM umbrella sample refer to the following message,
http://archive.ambermd.org/201711/0236.html
parm EstYZ5-DMP-complex-wat.top
trajin EstYZ5-DMP_equil-1.nc
trajout EstYZ5-DMP-wat_equil-480.rst restart onlyframes 480 480 1
trajout EstYZ5-DMP-wat_equil-480.rst restart onlyframes 481 481 1
trajout EstYZ5-DMP-wat_equil-480.rst restart onlyframes 482 482 1
..........
However, the result .rst file have no velocity, how to extract .rst restart file with a velocity from a trajectory file?
Thank you in advance,
Zhihong Xin,
College of Food Science and Technology
Nanjing Agricultural University
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Received on Fri Jan 22 2021 - 06:30:06 PST