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
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Received on Thu Jan 01 2015 - 13:30:02 PST
