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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Received on Fri Jul 22 2016 - 06:00:09 PDT
