[AMBER] How to extract restart file with velocity from a trajectory file?

From: 辛志宏 <xzhfood.njau.edu.cn>
Date: Fri, 22 Jan 2021 22:19:42 +0800 (GMT+08:00)

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