i encoutered a funny problem that the sander_classic
doesn't output the traj for me, even i got the output file, but it is
nothing in the file. i do have the right script to run the program, i
think... it is something like
sander_classic -O -i temp.in -o temp.out -c temp.crd -r temp.restrt -p
temp.top -x temp.traj
and ntwx = 250 and ntwr = 250 and ntpr = 100, the ntwxm is default for no
limit
the temp.traj was outputed but only with one empty line
i am using mpi to run on a 2 cpu octane... i never had this problem
before, i was wondering what could go wrong...
thanks a lot... frank
Received on Tue Sep 11 2001 - 14:12:13 PDT
