When I tried the slowcool.inp in X-PLOR 3.843 and set the $trial=3. The first
run looked perfectly OK( about 40 minutes), after that, the second trail and
the third trial, it took forever!! ( about 3 hours for each one, and all these
runs were done at the same machine at midnight and I knew there was no other
job running.)
And when I saw the output which I used nprint=50 nstep=50, and I realized that
for the first trail there are very few print out during the 50 steps which is
normal, and the second and third trial, there are lots of print out ( it
printed almost 100 R=xxxx).
I don't know what is going on. But the fianl result(R,R-free) still looks
OK.(?) Is that a problem when the program took the velocity from the first
trial to the second one?
Anyone has any idea about this?
Thanks.
jinsong
