On Mon, Oct 20, 2014 at 7:28 AM, Shubhadip Das <d.shubhadip.yahoo.com>
wrote:
> Dear Users,
> I would like to convert my psffile generated by VMD (psfgen) to
> amber style format.
> Unfortunately, I obtained the following error:
> At line 2793 of file psfprm.F90 (unit = 20, file = 'mymol.psf')
> Fortran runtime error: Bad value during integer read.
>
Y
ou should always tell us what version of the software you are using so we
are better able to help you. Without it, we have to make guesses that may
or may not be accurate.
That said, this error only seems possible if you are using AmberTools 13
(or AmberTools 12) since psfprm.F90 in AmberTools 14 does not have a read
statement on line 2793. Support for psfgen PSF files was added in
AmberTools 14, so you will have to download the latest version of
AmberTools *and apply all updates* in order for this to work.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Oct 20 2014 - 08:00:02 PDT
