Dear all,
I'm trying to use PTRAJ to calculate the distance between the different
residues.
The input file is simply:/
trajin data.trj 1 4535 1
distance d1-2 :1 :2 out dis1.5.list/
My data file is in the form of AMBER trajectory (also called AMBER
coordinate in VMD), uncompressed.
When I run PTRAJ, i get the following error
/checkCoordinates(): Could not predict number of frames for AMBER
trajectory file: data.trj
If this is not a compressed file then there is a problem/
The last line of the ptraj.out file is
/Processing AMBER trajectory file data.trj/
The trajectory file can be opened with VMD and the visual output looks
perfectly normal.
I have used the same script and method for another trajectory file, and
it worked without any problem.
I'm using AmberTools 1.4.
Any suggestions?
Thank you.
Regards,
Lui
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Received on Fri Apr 08 2011 - 09:00:06 PDT
