On Sun, Feb 10, 2013, kurisaki wrote:
>
>
> However, the PREPIN file generated by RESIDUEGEN module
> possess wrong Topology, I mean, main chain atoms were
> mistakenly assigned and atoms for loop had alternative bond.
>
> p.s. I consider that MOL2 file is right;
> it has proper connection.
Why do you need a prepin file in this case? Can't you use the mol2 file,
maybe setting the head and tail atoms by hand?
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Feb 10 2013 - 10:00:02 PST
