Dear Amber users,
I am trying to use PTRAJ for generating number of snapshots in Amber
trajectory format (ie. *.crdbox format) from my 5ns long trajectory file,
which contains 2500 frames. Below is the script I used for the same.
***********************************
trajin ../../md1.crd 1 2500 25
strip :WAT,:Na+
center :1-293 mass origin
image origin center
trajout crd_snap trajectory
************************************
Unfortunately, PTRAJ outputted all the snapshots in a single file with
*.crdbox format, rather than generating individual file of each snapshot.
But, if I change the output format in the script to PDB, I can able get the
snapshots in separate files with PDB format.
************************************
trajin ../../md1.crd 1 2500 25
strip :WAT,:Na+
center :1-293 mass origin
image origin center
trajout pdb_snap pdb
************************************
Is there a way to output the snapshots into individual files with *.crdbox
format?
Thanks in advance
Sincerely
Aneesh
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Received on Thu Aug 01 2013 - 04:00:02 PDT
