[gmx-users] conversion of X,Y,Z + velocities to *.trr
Rasoul Nasiri
nasiri1355 at gmail.com
Sat Dec 21 22:12:45 CET 2013
Dear all,
Is there any available script/Tcl in order to convert a x,y,z trajectory
(x,y,z-coordinates+velocities) to *.trr one?
I have optained the following trajectory and I need to have *.trr for
analysing of my MD;
C 45.96903 21.49863 24.62913 0.00000 0.00000
0.00000
H 47.06603 21.49863 24.62913 0.00000 0.00000
0.00000
H 45.80503 22.58663 24.62913 0.00000 0.00000
0.00000
H 45.56903 21.09663 25.55113 0.00000 0.00000
0.00000
C 45.38203 20.69563 23.47013 0.00000 0.00000
0.00000
H 45.90103 19.74763 23.37813 0.00000 0.00000
0.00000
H 45.64903 21.18663 22.53113 0.00000 0.00000
0.00000
C 43.87003 20.45463 23.58413 0.00000 0.00000
0.00000
.
.
.
.
Any help is highly appreciated.
Best,
Rasoul
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