AMBER Archive (2004)

Subject: AMBER: binary files

From: richard dimelow (r.dimelow_at_stud.man.ac.uk)
Date: Wed Jun 16 2004 - 08:29:48 CDT

I can read formatted coordinate files and formatted trajectory files from amber, and I can also write formatted coordinate and trajectory files that amber can understand. But I wish to read and write unformatted files since then I can maintain accuracy in the coordiantes and velocity. The f77 code I am using is
              read(1)
              read(1) natoms
              read(1) (x(j), y(j), z(j), j=1,natoms)
 and similarly with write commands instead of read.

I don't seem to have any problem reading unformatted files, but sander doesn't like the unformatted files that I write. I get the error message 'A READ operation tried to read past the end-of-record'. Is it possible to write unformatted files that amber is happy with?
cheers
rich
            

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