Hello everyone!
my input file is :
............
fix 1 all nve
run 5000
.............
fix 2 all temp/rescale 1300 300 5000 0.5 1
fix 3 all msd 5000 msd.out
fix 4 all rdf 5000 rdf.out 100 1 1
..........
run 100000
My question is:
a. If the valid of " fix 1 "is extended to the second " run"
b. when the "every timestep- 5000 " in "fix 2" is different from
that in "the thermo", does the log file have some different?
c. if we want to use fix NVT in " the second run ",then how we
modify it. is it right that we use :
.............
of " the second run " is followed the end data >
of "the first run "
Yes, the velocities and positions at the beginning of
the second run command will be identical to those at
the end of the first run command.
e. which is good we use many run in one input
file or one run in many input file?
Either way. It really depends on what you're trying to
do. I would generally advise many run commands in one
input file rather than one run command in many input
files.