Re: Problem regarding the big DCD file

From: Nicholas M Glykos (glykos_at_mbg.duth.gr)
Date: Sat Jul 20 2013 - 07:29:04 CDT

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<plug>

carma.exe -v -fit -atmid ALLID -step 50 my.dcd my.psf

should do the trick (carma.fitted.dcd will be your new dcd).
If you decide to try it, grab the windoze installer from
http://utopia.duth.gr/~glykos/progs/grcarma/ which includes a graphical
user interface plus recent carma executables.

ps. Concerning this windoze executable the following addition to the
carma license applies : "Windows XP, 7, Vista and 8 may under certain
(non-reproducible) circumstances create the false impression that
everything works as expected." :-)

</plug>

Apologies,
Nicholas

-- 
            Nicholas M. Glykos, Department of Molecular Biology
     and Genetics, Democritus University of Thrace, University Campus,
  Dragana, 68100 Alexandroupolis, Greece, Tel/Fax (office) +302551030620,
    Ext.77620, Tel (lab) +302551030615, http://utopia.duth.gr/~glykos/

Next message: Kapil jain: "FEP simulation on membrane protein"
Previous message: Tristan Croll: "Re: Retaining conformation"
Maybe in reply to: Vibhor Agrawal: "Problem regarding the big DCD file"
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