AMBER Archive (2007)

Subject: AMBER: error due to exceeding left-hand side digital numbers in restart output

From: Cenk Andac (cenk_andac_at_yahoo.com)
Date: Mon Jun 18 2007 - 03:09:36 CDT

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_at_yahoo.com

       
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