Thank you Dan for your kind suggestion,
I generated .rst7 and .ncrst extension file, but none of the result files can be displayed by VMD, the detail infomation is as follows,
I want to extract the last 20 "snapshot" (480-500) restart file for the umbrella sample input file, I wonder the method is correct or not? I find a tutorial with 20 .rst extension as input file, but there is no how to generate these .rst file, I want to know how to generate these "snapshot" rst file?
parm EstYZ5-DMP-complex-wat.top
trajin EstYZ5-DMP_equil-1.nc
trajout EstYZ5-DMP-wat_equil-480.rst7 restart onlyframes 480
trajout EstYZ5-DMP-wat_equil-481.rst7 restart onlyframes 481
trajout EstYZ5-DMP-wat_equil-482.rst7 restart onlyframes 482
...........
trajout EstYZ5-DMP-wat_equil-500.rst7 restart onlyframes 500
run
quit
extension .rst7 file
vmd > Info) Using plugin parm7 for structure file /home/xzhfood/mdsim/YZZ-amber-2020-11-26/YZZ-umbrella/data/EstYZ5-DMP-complex-wat.top
Info) Analyzing structure ...
Info) Atoms: 32786
Info) Bonds: 32839
Info) Angles: 0 Dihedrals: 0 Impropers: 0 Cross-terms: 0
Info) Bondtypes: 0 Angletypes: 0 Dihedraltypes: 0 Impropertypes: 0
Info) Residues: 9720
Info) Waters: 9420
Info) Segments: 1
Info) Fragments: 9423 Protein: 1 Nucleic: 0
rst7plugin) Title: Cpptraj Generated Restart
rst7plugin) This file contains velocity info.
rst7plugin) The Restartcrd has 32786 atoms.
Info) Using plugin rst7 for coordinates from file /home/xzhfood/mdsim/YZZ-amber-2020-11-26/YZZ-umbrella/data/EstYZ5-DMP-wat_equil-480.rst7
rst7plugin) Importing velocities from restart file.
Info) Finished with coordinate file /home/xzhfood/mdsim/YZZ-amber-2020-11-26/YZZ-umbrella/data/EstYZ5-DMP-wat_equil-480.rst7.
extension .ncrst file
parm EstYZ5-DMP-complex-wat.top
trajin EstYZ5-DMP_equil-1.nc
trajout EstYZ5-DMP-wat_equil-480.ncrst restart onlyframes 480
trajout EstYZ5-DMP-wat_equil-481.ncrst restart onlyframes 481
trajout EstYZ5-DMP-wat_equil-482.ncrst restart onlyframes 482
...........
trajout EstYZ5-DMP-wat_equil-500.rst7 restart onlyframes 500
run
quit
Info) Segments: 1
Info) Fragments: 9423 Protein: 1 Nucleic: 0
ERROR) Could not read file /home/xzhfood/mdsim/YZZ-amber-2020-11-26/YZZ-umbrella/data/EstYZ5-DMP-wat_equil-480.ncrst
rst7plugin) Title: Cpptraj Generated Restart
Zhihong XIn
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Received on Tue Jan 12 2021 - 05:00:02 PST
