From: <>
Date: Fri, 20 May 2005 13:28:17 -0500

Please check the coordinates in your problematic restrt file. Some of
them may be too big to be written out. You will see ******* in your
file. Just check it by :

grep **** filename

Good luck!

Lu Yang

On 5/20/05, Steve Seibold <> 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
> <<>> 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
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Received on Mon May 23 2005 - 09:53:00 PDT
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