[AMBER] ambpdb problems

From: Pyle, Ronald <ronald.pyle.ttu.edu>
Date: Tue, 16 Oct 2012 14:59:00 +0000

Help!! I have been running a simulation on a ssDNA 10mer. Everything has been working fine with my scripts and all input files. All the output files seem fine! I set the simulation up to run for a couple of days then take a look at the output using the ambpdb command to generate a pdb file from the rst file. I then start the simulation again to get a longer simulation, but I am now getting the error message below and the pdb file that is created is empty. I can see that something is wrong with the rst file created, because no additional output files are created from this rst file. What is causing the hangup and how can I fix it??



run22$ ambpdb -p 10mer_wat.prmtop < 10mer_md30.rst > 10mer_md30r.pdb
| New format PARM file being parsed.
| Version = 1.000 Date = 03/14/12 Time = 13:50:22
forrtl: severe (64): input conversion error, unit 5, file stdin
Image PC Routine Line Source
ambpdb 00000000004A56DD Unknown Unknown Unknown
ambpdb 00000000004A41E5 Unknown Unknown Unknown
ambpdb 0000000000456189 Unknown Unknown Unknown
ambpdb 000000000041E7EF Unknown Unknown Unknown
ambpdb 000000000041E022 Unknown Unknown Unknown
ambpdb 000000000043A08B Unknown Unknown Unknown
ambpdb 000000000040D323 Unknown Unknown Unknown
ambpdb 0000000000405549 Unknown Unknown Unknown
ambpdb 000000000040314C Unknown Unknown Unknown
libc.so.6 00000030F001D994 Unknown Unknown Unknown
ambpdb 0000000000403059 Unknown Unknown Unknown


Thanks

Ron

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Received on Tue Oct 16 2012 - 08:00:05 PDT
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