On 13/09/2010 16:00, Jorgen Simonsen wrote:
> Hi
> At line 2692 of file _psfprm.f
> Fortran runtime error: Bad value during integer read
>
> I have generated my psf using VMD so it is a little bit different than
> charmm's psf format can chamber handle the psf for NAMD as well? I am using
> ambertool 1.4.
Hi,
You might want to have a look at this thread:
http://archive.ambermd.org/201002/0288.html
This is failing because you are using an X-PLOR PSF file format;
CHAMBER, at this moment in time, only supports native PSFs and extended
native PSFs, i.e. ones generated directly from charmm.
regards,
Mark
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Received on Mon Sep 13 2010 - 08:30:05 PDT
