so, Is there any alternative to calculate total free energy of the 10ns
trajectory(.dcd file)..?
On Fri, Feb 27, 2015 at 1:15 PM, Jason Swails <jason.swails.gmail.com>
wrote:
> On Fri, 2015-02-27 at 18:41 +0530, vijay kumar narsapuram wrote:
> > Hello sir,
> >
> > when i am trying to run for normal pdb file in parmed.py for generation
> of
> > .prmtop and .inpcrd it was successfull.
> > but when i am trying to run for my 9frames .dcd file it gives me below
>
> You can't use a DCD file to provide coordinates. You can use either a
> PDB file or a CHARMM coordinate file. In the future, more formats will
> be supported, but for now it is either PDB or CHARMM coordinates, only.
>
> HTH,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
>
>
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Received on Fri Feb 27 2015 - 05:30:04 PST
