I am trying to use the method of molecular dynamics simulation to clarify the mechanism of our system. and I use the method of VPN to connect the national laboratory's computer. the first,I ran the script of minrun.qnlm.sh(the order is "qsub minrun.qnlm.sh"),normally,we could get the files of min.out and complex.min2.rst,and the later file is essential for the next step(02run.qnlm.sh). but after the running,we only get the file of min.out and can't get the file of complex.min2.rst,I don't know what's wrong with it.
If someone could tell me what's wrong with it,I would appreciate it. Thanks in advance.
you can view the file from the attachment.
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Received on Sat May 20 2017 - 06:30:02 PDT
