[gmx-users] conversion of X,Y,Z + velocities to *.trr

[Tsjerk Wassenaar]

Hi Raoul,

You can also convert it to .gro or .pdb and do the analysis on that.
Scriptwise that's trivial.

Cheers,

Tsjerk


On Sat, Dec 21, 2013 at 10:12 PM, Rasoul Nasiri <nasiri1355 at gmail.com>wrote:

> 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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-- 
Tsjerk A. Wassenaar, Ph.D.