You could probably read it through ptraj.
------------------------------------------------------
trajin pdbfile pdb
trajout inpcrd_file restart
------------------------------------------------------
Good luck!
Jason
On Sun, Feb 28, 2010 at 5:17 PM, Ivan Gladich <igladich.purdue.edu> wrote:
> Thank you very much Jason.
> Now it works!
> Last question: if now I would like to come back to have an .inpcrd file
> with the translated coordinates but with the same topology topol.prmtop,
> what do I have to do?
> Thanks again
>
>
>
> Jason Swails wrote:
>> On Sun, Feb 28, 2010 at 2:00 PM, Ivan Gladich <igladich.purdue.edu> wrote:
>>> Dear all
>>> I have some problem to translate a restrt file.
>>> Indeed, after a constant pressure simulation, I would like to translate
>>> my system in my box to perform a constant volume simulation in a larger
>>> box.
>>> I have seen in the web that "translate" can do it but it wants a .pdb
>>> format file.
>>> For this reason I did
>>>
>>> $AMBERHOME/exe/ambpdb -p topol.prmtop <restrt > my.pdb
>>>
>>> after that I did
>>>
>>> $AMBERHOME/exe/translate -i my.pdb -vx 0 -vy 0 -vz 40 -o transl
>>
>> translate -h
>>
>> will give you help. You're missing the "-f format" flag. Add -f pdb
>> to your command.
>>
>> Good luck!
>> Jason
>
>
> --
> -------
> Ivan Gladich, Ph.D.
>
> Dreyfus Postdoctoral Fellow
> Department of Chemistry
> Purdue University
> 560 Oval Drive, box 140
> West Lafayette
> IN 47906 USA
>
> Room: 265C
> Tel:765-494-5225
> e-mail: igladich.purdue.edu
> web page: http://web.ics.purdue.edu/~igladich/
>
> --------
>
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>
--
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Sun Feb 28 2010 - 17:00:03 PST
