Dave Borhani wrote,
>>Jack,
>>>>I have no experience with restart files, but...
>>>>Is it possible that the restart file is written (as xplor is wont to do)
>>in a formatted output, i.e. that there is round-off error upon writing
>>the file, and then reading it back in, compared to just running the
>>traj. straight-through, thus maintaining at least 4-byte precision
>>throughout?
>>>>Dave
>>>>-----
>>David Borhani borhani at sri.org>>Southern Research Institute Tel: (205) 581-2555
>>2000 Ninth Avenue South Fax: (205) 581-2726
>>Birmingham, AL 35205 U.S.A.
>>>
Dave,
The xplor restart files are formatted so maybe round-off error is
the problem.
Jack
