Dear Amber,
I want to extract the 20 rst structures from the nc files using the following script (re_image-480-500-2.in), the rst file generated sucessfully, but the rst file can not be displayed by vmd.
The top and nc file works in the VMD.
How to fix the issue?
I will be appreciate very much if there are any sugesstion.
The re_image-480-500-2.in file is as follows:
parm EstYZ5-DMP-complex-wat.top
trajin EstYZ5-DMP-wat_equil_reimaged.nc
trajout EstYZ5-DMP-wat_equil-480.rst restart remdtraj onlyframes 480
trajout EstYZ5-DMP-wat_equil-481.rst restart remdtraj onlyframes 481
trajout EstYZ5-DMP-wat_equil-482.rst restart remdtraj onlyframes 482
trajout EstYZ5-DMP-wat_equil-483.rst restart remdtraj onlyframes 483
trajout EstYZ5-DMP-wat_equil-484.rst restart remdtraj onlyframes 484
trajout EstYZ5-DMP-wat_equil-485.rst restart remdtraj onlyframes 485
trajout EstYZ5-DMP-wat_equil-486.rst restart remdtraj onlyframes 486
trajout EstYZ5-DMP-wat_equil-487.rst restart remdtraj onlyframes 487
trajout EstYZ5-DMP-wat_equil-488.rst restart remdtraj onlyframes 488
trajout EstYZ5-DMP-wat_equil-489.rst restart remdtraj onlyframes 489
trajout EstYZ5-DMP-wat_equil-490.rst restart remdtraj onlyframes 490
trajout EstYZ5-DMP-wat_equil-491.rst restart remdtraj onlyframes 491
trajout EstYZ5-DMP-wat_equil-492.rst restart remdtraj onlyframes 492
trajout EstYZ5-DMP-wat_equil-493.rst restart remdtraj onlyframes 493
trajout EstYZ5-DMP-wat_equil-494.rst restart remdtraj onlyframes 494
trajout EstYZ5-DMP-wat_equil-495.rst restart remdtraj onlyframes 495
trajout EstYZ5-DMP-wat_equil-496.rst restart remdtraj onlyframes 496
trajout EstYZ5-DMP-wat_equil-497.rst restart remdtraj onlyframes 497
trajout EstYZ5-DMP-wat_equil-498.rst restart remdtraj onlyframes 498
trajout EstYZ5-DMP-wat_equil-499.rst restart remdtraj onlyframes 499
trajout EstYZ5-DMP-wat_equil-500.rst restart remdtraj onlyframes 500
run
quit
cpptraj -i re_image-480-500-2.in
open one of the rst file by VMD, and the structures cannot be displayed.
vmd -parm7 EstYZ5-DMP-complex-wat.top -rst EstYZ5-DMP-wat_equil-480.rst
Zhihong XIN
College of Food Science and Technology
Nanjing Agricultural University
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Received on Sun Jan 10 2021 - 07:00:02 PST
