Hello,
Just to conclude this thread.
Mark Williamson found the problem (thanks Mark!!).
CHAMBER chokes on the following line in the default charmm par_all27_na.prm
file:
HN7 CN7 CN8B ON2 0.195 3 0.0 !gam H-C4'-C5'-O5'
In the original, there is a tab after 0.195. When the tab is replaced by (a
number of) spaces, as in the line pasted above, the issue is resolved.
Again, many thanks for looking into this, Mark!
Marc
On 26 October 2012 16:28, Mark Williamson <mjw.mjw.name> wrote:
> On 26/10/12 09:59, Marc van der Kamp wrote:
> > Hi,
> >
> > We've been trying to prepare a system consisting of RNA strands for
> > simulation with the CHARMM27 nucleic acid force field.
> > Creation of a CHARMM .psf is successful.
>
>
> Hi Marc,
>
> Can you send me all the relevant the files off list and the exact
> command used to generate the issue. I'll try to reproduce it and then
> develop a bug fix.
>
> Thanks,
>
> Mark
>
>
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Received on Tue Oct 30 2012 - 05:30:03 PDT
