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 <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
>
>
>
>
>
>
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Received on Mon May 23 2005 - 09:53:00 PDT
