Dear fellow AMBER users
I am new to AMBER MD, but have had experiences using LAMMPS. I need to
simulate something by AMBER to finish a part of my project.
I need to analyze the some data from the trajectory file (.mdcrd) which is
straightforward in LAMMPS. However, I do not know what atoms these numbers
refer to.
49.922 50.127 -56.945 49.053 50.131 -57.352 48.477 51.453 -57.370
49.315
52.050 -57.729 48.235 51.689 -56.333 47.259 51.598 -58.283 46.933
52.634
-58.191 47.667 51.224 -59.596 46.455 50.684 -60.150 45.907 51.511
-60.600
............................................
I guess each consecutive three numbers form a coordinate triplet (xyz), but
they are the coordinate of which atom is the question. Should I go to
.prmtop to figure out which one is which and how?
Thank you
Wujie
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Received on Tue Jul 01 2014 - 19:00:02 PDT
