Dear amber community,
I have been running a 300 ns MD for an RNA hairpin solvated by TIP3
waters. somewhere around 50 ns of MD , I seem to get some errors with
restart files so that the next sander routine does not start. After
going through the coordinates in the previous restart file, I have
noticed that some coordinates were filled with lots of stars, like
****.******* , instead of numbers. I was able to get the coordinates from the
last snapshot of the trajectory though. The missing coordinates are all
like -1XXX.XXXXXXX and they don't seem to fit in the restart file. Is
there any solution to this?
Best regards,
jenk
Cenk Andac, M.S., Ph.D. Student
School of Pharmacy at
Gazi University-Ankara Turkiye
Address: Bandirma Sok. No:6
Etiler, Ankara, 06330 Turkey
Cell: +90-(536)-4813012
E-Mail:cenk_andac.yahoo.com
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Received on Wed Jun 20 2007 - 06:07:15 PDT
