Hi Jochen,
> thank you for providing the patch! It seems to work without problems on
> the release version of Amber9. On the version that includes all recent
> bugfixes however there is some issue that i think has to do with the
> bufferlength of the "bellymask input string" in findmask.f (see last few
> sections of your patch-file). One of the bugfixes changes this length
> from 80 chars to 256. Your patch however tries to change it from an
> assumed length of 80 chars to 800 and therefore fails. I have therefore
> applied your other changes manually and left the bufferlength at 256,
> which also seems to work.
This should be fine, there was a little more to that patch file than just
the GB belly support - mainly to allow more complex belly masks to be
specified in order to support semi-flexible GB docking. However, you
probably do not need this part so the 256 is fine and you can ignore the
last part of the patch.
Good luck,
Ross
/\
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|\oss Walker
| Assistant Research Professor |
| 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 Fri Dec 05 2008 - 14:40:46 PST
