On Wed, Aug 6, 2014 at 2:30 PM, Sarah Witzke <witzke.sdu.dk> wrote:
> Hi again,
>
> As Michael wrote to me (in Danish) we also had the problem with the long
> atom names from CGenFF in chamber.
> I must admit I do not remember where Michael fixed this in the code by
> help from Mark Williams (or was that the problem with the repeating angles?
> - too long ago :-( )
> - so maybe you remember Michael?
> This fix is the reason I stick to "our", old version of chamber :-) -
> maybe this is not worth spending too much time on since Jason has built
> chamber into Parmed?
>
If you did fix chamber to work with cgenff PSF/parameter files, it would
be great if you could share the modifications that were made. It would
probably be pretty easy to translate those changes into the current version
of chamber to get it working (especially for Mark Williamson or another
experience chamber developer).
Thanks,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Aug 06 2014 - 12:00:05 PDT
