AMBER Archive (2008)

Subject: AMBER: Your "bellymask-patch"

From: Jochen Heil (jheil_at_keychem.de)
Date: Thu Nov 13 2008 - 07:45:30 CST

Dear Prof. Walker,
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.
Best regards, Jochen 

-- 

Dipl.-Ing. Jochen Heil
AG Kast
Eduard-Zintl-Institut für Anorganische und Physikalische Chemie
Technische Universität Darmstadt
Petersenstr. 20, 64287 Darmstadt, Germany

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