Sorry forgot to mention that I used chamber implemented in parmed (amber16)
for conversion.
On 22 July 2016 at 22:33, David A Case <david.case.rutgers.edu> wrote:
> On Fri, Jul 22, 2016, Neha Gandhi wrote:
> >
> > Does chamber support xplor psf format?
>
> chamber is a very old program: depending on what version you have, it may
> not
> be happy with xplor format.
>
> You should be using parmed in AmberTools16 for such conversions. And if
> the
> CHARMM-GUI doesn't do what you want, ask the authors for an enhancement.
> Trying to support conversions from all kinds of programs (ACEMD, VMD...)
> is very hard. Getting the CHARMM-GUI to handle things like this is much
> more
> likely to be a sustainable path.
>
> ....dac
>
>
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--
Regards,
Dr. Neha S. Gandhi,
Vice Chancellor's Research Fellow,
Queensland University of Technology,
2 George Street, Brisbane, QLD 4000
Australia
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Research Gate
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Received on Fri Jul 22 2016 - 06:00:09 PDT
