Dear Seibold:
Maybe this is due to your low network connection which will be down when
network transfer is very busy? Data could not be recorded in your rst file
any more when your network is down. And the network is very probably to
come back to work after a few seconds so that the simulation is still on
calculating and you could not aware of it. If this is your case, I believe
you'll have to restart your calculation from the latest usable rst file.
==== your error message =======
forrtl: severe (64): input conversion error, unit 9, file
/scratch/seibolds/mutant/File3.restrt_5000000
===============================
On Sat, 21 May 2005 01:45:24 +0800, Steve Seibold
<seibold.chemistry.msu.edu> wrote:
> Amber users
> I have a restrt file problem which is as follows:
>
> I start my MD and my restrt files start out ok (i.e. I can make pdb
> files from them, use them to start another MD run). However, suddently
> AMBER puts out a restrt file that cannot be used to make pdbs or to
> start another run. All the restrt files following this one are also
> corrupted. I opened the defunct restrt files up and compared with
> usable (early in the MD) ones and I cannot see anything strange. I am
> attaching my input file and the output file containing the error
> <<File.in.txt>> message. I am also sending you what was printing on my
> computer screen as this may be helpful? Lastly, I am sending the error
> message I get when I try to make a pdb file.
>
> My trajectory file seem to be ok. That is I can retrieve RMSd ect values
> from it.
>
> Any ideas as to why my restrt files are bad? Am I doing something
> incorrect?
>
> Thanks, Steve
>
>
--
JunJun Liu
College of Chemistry
Central China Normal University
WuHan 430079
P.R. China
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Received on Mon May 23 2005 - 09:53:01 PDT
