Thank you everyone for the help and suggestions. In particular, I would
like to thank Dr. Steinbrecher, who's suggestion worked like a charm!
All the best,
David
On 3/27/07, Thomas Steinbrecher <steinbrt.scripps.edu> wrote:
>
> Hi,
>
> >> I am having a problem with the loadMol2 command in xleap from Amber
> version
> >> 9. Basically, when I try to load a molecule from a mol2 file
> (generated by
> >> VMD), I get no errors but the unit is not created. So, whenever I do
> an
> >> edit, desc, or check on my unit, xleap says my molecule doesn't exist.
>
> just one suggestion, what I normally do when different programs do not
> like structure files created by other ones is, use babel to read
> it in and write it out again in the same format.
>
> Babel is quite tolerant of format inaccuracies and normally gives files
> that all amber programs will eat without complaining.
>
> You can get babel at sourceforge.net I think and all you would need to do
> is
>
> babel -imol2 <file> -omol2 <new_file>
>
> Maybe that helps,
>
> Thomas
>
> Dr. Thomas Steinbrecher
> The Scripps Research Institute
> 10550 N. Torrey Pines Rd.
> San Diego CA 92037, USA
>
>
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Received on Wed Mar 28 2007 - 06:07:46 PDT
