Hi, I am trying to do a chemical shift refinement of a nucleic acid. The script still needs some bug-fixes, which I am trying to do.
When the script runs, it will run for several hours and then quits, most probably due to an error in the script. If I look at the logfile, which reaches a huge size (2.1GB !!), the last couple of lines are: EH, KPROT, DELTASHIFT XX === 0.760157102 20. -0.168966748 EH, KPROT, DELTASHIFT XX === 0.839691749 20. -0.0630613379 EH, KPROT, DELTASHIFT XX === 0.944964503 20. 0.0725509316 EH, KPROT, DELTASHIFT XX === 2.84864399 20. -0.308519002 EH, KPROT, DELTASHIFT XX === 3.98492932 20. 0.238357434 EH, KPROT, DELTASHIFT XX === 4.33910856 20. 0.133075024 EH, KPROT, DELTASHIFT XX === 5.84528759 20. That is where the logfile ends, halfway the line. My questions are: Is there a possibility to let the logfile grow further ? How can I suppress output generated during the chemical shift refinement (Lines like: EH, KPROT, DELTASHIFT XX === ## ## ##)? Or is there a way to write errors or abnormal endings of xplor-calculations to a seperate file ? Thanks in Advance, -- R.M. van der Werf E-mail: [email protected] Radboud university of Nijmegen Dept. Biophysical Chemistry (NMR)
