Hello!
My computer broke last week and I lost a lot of data including my .rst
files for my simulations. I saved the .prmtop and .mdcrd files to an
external drive, so I have all of those. I need to continue the simulation
for another 1 us, but I do not have the restart file that I would normally
use to do this. Is there any way to generate a .rst from coordinate file?
I tried using cpptraj:
parm file.prmtop
trajin file.mdcrd ß this file has 24217 frames
trajout file.rst restart 24217
go
quit
This generated 24217 individual files in this format: “file.rst.1,
file.rst.2,…”.
Can I compile these individual files somehow to make one restart file? Or
is there a different way to generate the restart file? I realize this may
not be possible, but thank you for taking the time to try to help!
Thank you,
Alysia
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Received on Wed Sep 16 2020 - 07:00:02 PDT
