Dear Amber users!
I am looking for a possibility to extract the last snapshot from the
md trajectory and convert it to pdb. I've already tried to do it via
the checkpoint file
ambpdb -p ${sim}/protein.prmtop -c ${sim}/prod_*.rst >after_MD.pdb
however the coordinates were not reimaged to I see the molecule passed
across PBC. Is it possible to reimage coordinates first?
Many thanks in advance
Cheers
Enrico
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Received on Fri Aug 12 2022 - 08:30:05 PDT
