Hi Martin,
> I understood that the sequence command constructed the new unit from
> the internal coordinates of the fragments.
> Am I mistaken believing it should at least reproduce the geometry
> from the prep file for each fragment,
> though it may get the inter-fragment conformation wrong?
I believe that it would do. I think I misunderstood your previous email. I
didn't realize you were getting the structure of the individual fragments
was coming out wrong. Can you possibly send me your prepin files so I can
try it out myself.
All the best
Ross
/\
\/
|\oss Walker
| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
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Received on Sun Apr 30 2006 - 06:07:11 PDT
