Nice. It works just the way I like it. In xleap editor, it even displays
double bonds with mol2 format. Thanks a lot.
Guanglei
David A. Case wrote:
> On Sun, Mar 07, 2004, Guanglei Cui wrote:
>
>>When using antechamber to generate prepin file, antechamber will reorder
>>atoms so that hydrogen atoms are immediately after the heavy atoms they
>>attach to. I'd like to know if there's way to switch off this behavior.
>
>
> I don't think you can get around this with the prepi format, since the
> tree structure implied requires the re-numbering. But the mol2 format
> may satisfy your needs, and I don't think it renumbers the atoms.
>
> In general, we are recommeding people use the mol2 format in place of prepi
> (especially in Amber 8), unless they have some particular need for the latter.
>
> ...hope this helps...dac
>
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Received on Mon Mar 08 2004 - 16:53:00 PST
