Dear All,
I started a protein simulation for 100ps with octahedron box. After
completion of that run I visualized the protein at the centre of the
octahedron box by using trjconv.
Then I have extended the simulation for another 500 ps by using tpbconv.
But now it is showing as cubic box when I see the result after using
trajconv (additionally some part of the protein is out of the box). I do
not have any clue how the box type has been changed or where could I go
wrong.
Please comment.
Thank you,
Cheers,
Sukesh
--
Sukesh Chandra Gain
TCS Innovation Labs
Tata Consultancy Services Ltd.
'Deccan Park', Madhapur
Hyderabad 500081
Phone: +91 40 6667 3572
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