Dear Amber users,
I tried to calculate the distance between two atoms but I am
getting the following error.
PTRAJ: distance DIST :4760.O:2126.HE2 out DIST.list
Mask [:4760.O:2126.HE2] represents 1 atoms
WARNING in ptraj(), distance: Error in specification of the second mask
Ignoring command
[No output trajectory specified (trajout)]
PTRAJ: Successfully read the input file.
Coordinate processing will occur on 1250 frames.
Summary of I/O and actions follows:
INPUT COORDINATE FILES
File (PROD1.mdcrd) is an AMBER trajectory (with box info) with 1250 sets
NO OUTPUT COORDINATE FILE WAS SPECIFIED
NO ACTIONS WERE SPECIFIED
The input command what I have given is :
trajin PROD1.mdcrd
distance DIST :4760.O:2126.HE2 out DIST.list
I cant understand what is going on. Could someone tell me what is wrong with my command?
Best Regards,
Urszula Uciechowska
MSc.PhD Student
Medicinal Chemistry Group
University of Halle-Wittenberg
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Received on Sun May 11 2008 - 06:07:44 PDT
