Hi,
Your output from VMD looks like it read the ASCII restart (.rst7) file
correctly - at least I don't see any error messages in the output.
On Tue, Jan 12, 2021 at 7:34 AM 辛志宏 <xzhfood.njau.edu.cn> wrote:
> parm EstYZ5-DMP-complex-wat.top
> trajin EstYZ5-DMP_equil-1.nc
> trajout EstYZ5-DMP-wat_equil-480.ncrst restart onlyframes 480
This is not what you want. You're specifying the 'restart' keyword, so
cpptraj assumes you actually want an ASCII restart file. Either remove
the 'restart' keyword here, or use the ncrestart or restartnc keywords
in its place. I recommend reading the manual, or at least typing 'help
Formats trajout' in cpptraj interactive mode to get a list of
recognized extensions/keywords for each format.
-Dan
> 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 - 06:30:03 PST
