Dear Giuseppe:
*** What I am looking for is raw -pd pull.pdo data from the first run. ***
It looks like you did not define a name for -pd:
mpiexec -n $NSLOTS mdrun_mpi -np 1 -v -s start_res.tpr -o output_res -c
output_conf -pi pull.ppa -pn mdgrp1.ndx -po pullout -pdo pullout1 *
so based on the -h info:
-pd pull.pdo Output, Opt. Pull data output
I want to see pull.pdo
How about the first 100 lines and the last 20 lines.
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