From: Martin Höfling <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
To: Discussion list for GROMACS users <gmx-users@gromacs.org>
Subject: [gmx-users] missing Ryckaert-Bell in 3.3.2 is now considered
asERROR?
Date: Wed, 24 Oct 2007 00:14:55 +0200
Hi all,
has the default behaviour of 3.3.1 -> 3.3.2 changed from Warning to Errors
concerning this?:
AFAIR in 3.3.1
WARNING ...
No default Ryckaert-Bell. types, using zeroes
to:
ERROR 1 [file "topol.top", line 159]:
No default Ryckaert-Bell. types
in 3.3.2
Yes.
We should have done this years ago, but I wasn't really aware of this issue,
since I always make proper topologies :)
The new -zero option of grompp changes the behavior back to the old one.
Berk.
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