Hi All,
The documentation for prmtop appears to be out of date:
http://amber.scripps.edu/formats.html
We are missing the extra 2 entries: numextra and ncopy - I assume these are
related to extra points and pimd / neb etc. Can anyone comment definitively
on what these are and I'll update the website.
All the best
Ross
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|\oss Walker
| HPC Consultant and Staff Scientist |
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Received on Sun Oct 07 2007 - 06:07:11 PDT
