Hi,
I am trying to run MD on a HPC. The input template provides the possibility
to input the following files: **.rst , *.prmtop, *.in*
I can get *01_Min.out,* *02_Heat.out* and *03_Prod.out* but I miss the
corresponding **.ncrst,* and **.nc* files, respectively for *Min*, Heat and
*Prod*.
I cannot run *rmsd.cppj* for trajectory because of the missing **.ncrst*
and **.nc* files. Is there a workaround for this?
Thank you,
B.Cramer
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Received on Tue Aug 17 2021 - 15:00:02 PDT
