*Please* keep responses going to the Amber list. Do a “reply all” or “reply list” -- not only to me.
> On Oct 23, 2014, at 11:33 PM, Shubhadip Das <d.shubhadip.yahoo.com> wrote:
>
> Thanks once again
> Jason for your kind reply. I have used /home/amber14/bin/chamber -cmap -top mymol_rtf.inp -param mymol_prm.inp -xpsf mymol.psf -crd mymol.crd -p mymol.prmtop -inpcrd mymol.inpcrd command but still i obtained following error:
>
> At line 3305 of file psfprm.F90 (unit = 20, file = 'mymol.psf')
> Fortran runtime error: Bad value during floating point read
Without being able to reproduce this problem, it’s unlikely anybody will be able to help. Another thing you can try is to download the latest version of ParmEd (
http://github.com/swails/ParmEd <
http://github.com/swails/ParmEd>) and use the “chamber” action inside there. It tends to be quite a bit more permissive than chamber when it comes to parsing PSF files (although chamber has gotten a lot better). The command for the ‘chamber’ action in ParmEd is essentially the same as the command for the chamber program (except you need to use -psf instead of -xpsf).
If you are still having problems, create a tarball with the problematic files and put them somewhere that we can download them (like dropbox), and post the link in another email (to the list!). Hopefully a more experienced developer that knows chamber better will be better equipped to help than me.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Oct 24 2014 - 08:30:02 PDT
