Thanks a ton Jason.
On Fri, Jan 2, 2015 at 2:55 AM, Jason Swails <jason.swails.gmail.com> wrote:
> On Thu, Jan 1, 2015 at 7:33 AM, Himanshu Joshi <himanshuphy87.gmail.com>
> wrote:
>
> > Dear friends,
> >
> > I want to convert charmm psf file ( containing lipid in water) to amber
> > topology file in order to perform some analysis using cpptraj for NAMD
> dcd
> > trajectories
> >
> > I tried the following
> >
> > chamber -nocmap -psf test.psf -crd test.restart -p main.prmtop -inpcrd
> > main.inpcrd -box 89.293785 92.541573 74.754044.
> >
> > where test.psf and test.restart are the psf and restart file for the
> > system.
> >
> > But it gave me the following error
> >
> > *input conversion error, unit 20, file test.psf*
> >
> >
> > Can anybody help me in this regard.
> >
>
> You omitted the helpful part of the error message.
>
> Also, unless you need to run a simulation using the CHARMM force field with
> Amber, why not just use the PSF file with cpptraj? cpptraj can read PSF
> files.
>
> HTH,
> Jason
>
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
*With Regards,HIMANSHU JOSHI Graduate Scholar, Center for Condense Matter
TheoryDepartment of Physics IISc.,Bangalore India 560012*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jan 01 2015 - 20:30:03 PST
