2009/6/15 廖青华 <fantastic_0919.yahoo.com.cn>:
> Yes, it shows that it can't open *.rst file, but the *.rst file is the output file. I am confused. The following lines is the information of the error when I run " /usr/local/mpich2/bin/mpirun -np 4 sander.MPI -O -i heat.in -o heat.out -p com_solvated.prmtop -c min3.rst -r heat.rst -x heat.mdcrd -ref min3.rst"
Which file specifically is it referring to, min3.rst or heat.rst?
Please give the exact sander error message from your heat.out file
(e.g. something like "Unit 30 Error on OPEN: ...").
--Tom
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Received on Mon Jul 06 2009 - 09:39:41 PDT
