Dear Dr. Steinbrecher,
No, it is not Sir. My heat4.out shows that:
*File assignments:*
*...*
*Here is the input file:*
*
*
*(parameter used in file.in)*
*
*
*----------------------------------------*
*1. RESOURCE USE:*
*----------------------------------------*
*| Flags : MPI MMTSB*
*getting new box info from bottom of inpcrd*
*|INFO: Old style inpcrd file read*
*
*
then it stopped here. Unlike this, the heat3.out contained all the process
result.
I think the error came from "Unable continue with the heat4", but I cannot
find out WHY. The heat3.rst was successfully generated.
Please help me more.
Thank you Sir.
Regards,
Chinsu.
On Thu, Sep 29, 2011 at 3:55 PM, <steinbrt.rci.rutgers.edu> wrote:
> Hi,
>
> Fortran can be a bit userunfriendly when it comes to error messages, but
> your mdout files should show the following too:
>
> > Unit 30 Error on OPEN:
> > ./ndm_heat4.rst
>
> This is the crucial point, sander did not find the previous run's restart
> file and therefore crashed. So go back to the step before (heat4?) and
> check why that did not produce a restart. It most likely crashed as well,
> so the task is to figure out why that happened.
>
> Kind Regards,
>
> Dr. Thomas Steinbrecher
> formerly at the
> BioMaps Institute
> Rutgers University
> 610 Taylor Rd.
> Piscataway, NJ 08854
>
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Received on Thu Sep 29 2011 - 01:30:02 PDT
