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
Error, no or wrong format, must be 'ac', 'pdb' or 'mol2'
I cannot understand the reason of this error.
Anyone has some idea or hint to solve the problem?
Thank you very much
--
-------
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 - 11:30:02 PST
