[gmx-users] Problem with box-type after the extension of simulation

sukesh chandra gain sukesh at atc.tcs.com
Thu Nov 19 06:29:34 CET 2009

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 
Please comment.
Thank you,

Sukesh Chandra Gain
TCS Innovation Labs
Tata Consultancy Services Ltd.
'Deccan Park', Madhapur
Hyderabad 500081
Phone:  +91 40 6667 3572

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