> i have an error message when running ptraj using
> amber8. it seems that ptraj cannot read my crd files..
> can somebody help me to solve this problem? when i
> look at the 1jkmpro3.out i found that there is a
> message :
>
> check COM velocity, temp: 0.002752
> 0.01(Removed)
>
>
> Unit 16 Error on OPEN: 1jkmpro3.xyz
The above is not an error from ptraj, but likely sander and states that
the file "1jkmpro3.xyz" could not be opened. Perhaps that file already
exists (zero sized) or write permission is not granted?
> Could not open file (1jkmpro3.crd) with mode (r)
> WARNING in checkCoordinates(): Could not open file
> (1jkmpro3.crd)
> WARNING in ptrajSetupIO(): trajin 1jkmpro3.crd, cannot
> open file...
ptraj will only complain like this is the file actually does not exist.
Do a "ls" in your current directory and see if 1jkmpro3.crd is actually
there (or type "head 1jkmpro3.crd").
Good luck.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri Nov 05 2004 - 02:53:00 PST
