Re: topology file for 2 sugar rings connected 1-1 between them

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Sun Aug 31 2008 - 08:46:38 CDT

Hi Regina,
you'll need to combine the atoms from both residue entries into one
residue (making sure all atoms have unique names), and then have an
extra BOND entry that connects the ring. You can have a look at the
topology file tutorial
(http://www.ks.uiuc.edu/Training/Tutorials/science/topology/topology-html/)
for some help on the format.
Peter

politr_at_huji.ac.il wrote:
> Hi everybody,
> I'm trying to create topology file for trehalose. I have a topology
> file for 4C1 alpha-D-glucopyranose (one of the sugar rings) and a
> topology file for 1-1 linkage but I have no idea how to create a
> topology file for trehalose itself based on the information known.
> Does anyone has any idea how to create topology file for 2 sugar rings
> connected 1-1 between them?
> Thank you for your attention.
> Regina
>
>

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