[gmx-users] Regarding trajectory file

[aiswarya pawar]

You can write this on VMD forum. Anyways you can try by doing this in the
Tcl console-

set sel [atomselect top "solvent"]
$sel get {x y z}

This would give you the coordinates of the solvent, for your purpose you
got to iterate so as to get  for each time step.


Aiswarya
SERC Dept, IISc
Bangalore



On Wed, Jan 18, 2012 at 12:06 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> On 18/01/2012 5:31 PM, Ravi Kumar Venkatraman wrote:
>
>>
>> Dear All,
>>             I have ran a 10 ns production run for chloranil in 500
>> methanol solvent box. I want to get the coordinates of solvent and solute
>> at different time steps from the trajectory file (*.xtc). Can anybody tell
>> me how to extract the details using VMD or any other viewer.
>>
>
> You're unlikely to get help for non-GROMACS software on this mailing list.
> Check out manual section 7.4 for clues on what GROMACS tools might help,
> and then section 8 and appendix D for more details.
>
> Mark
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