Hi All,
I was trying to change the coordinate of one of the atom in my trajectory
file using ptraj. Below mentioned is the script for same:
*trajin min2.rst
translate .5258 [x -0.294] [y 0] [z 0]
trajout new.rst
go*
I want atom number 5258 to change in 3d for its X coordinate. When I check
for the property of input and output file I found
* min2.rst ---> 2392805 Byte
new.rst ---> 1593018 Byte*
I have done something wrong as just the change in one coordinate cant change
the file size to this much extent. To further check the result, I prepared
the pdb file using output trajectory, But it is showing error and it not
converted into pdb.
Please suggest me my error.
Thanks
Hirdesh
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Received on Mon Feb 07 2011 - 21:30:02 PST
