Hi Jason.
I have tried ParmEd with my files. But it shoeing me the following error.
Any idea what is possibly wrong?
Action chamber failed
ChamberError: Problem assigning parameters to PSF: Missing bond type for
<Bond <Atom FE1 [8937]; In F4O 578>--<Atom NE2 [1434]; In HSD 93>;
type=None>
Thanks,
Saurabh.
On 2/24/15, 7:56 PM, "Jason Swails" <jason.swails.gmail.com> wrote:
>On Tue, Feb 24, 2015 at 8:24 PM, Shukla, Saurabh <sshukla4.illinois.edu>
>wrote:
>
>> Dear all,
>> I am using Chamber to convert .psf files obtained from VMD to Amber
>> .prmrop and .inpcrd files. I am using –xpsf flag for my .psf file as
>> suggested on previous threads.
>>
>
>I would suggest trying to use the chamber command in ParmEd instead. It
>will be released with AmberTools in a couple months, but is available now
>at http://github.com/ParmEd/ParmEd. You can find instructions for how to
>use ParmEd in the AmberTools manual and the chamber command in particular
>at http://parmed.github.io/ParmEd/html/parmed.html#chamber
>
>HTH,
>Jason
>
>--
>Jason M. Swails
>BioMaPS,
>Rutgers University
>Postdoctoral Researcher
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Received on Mon Mar 02 2015 - 12:00:04 PST
