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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Received on Sun Feb 28 2010 - 14:30:04 PST
