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<div align="justify">Just two comments - <br>
<br>
I know it's less robust, but I guess most users need to make sure that
simulations work at constant pressure and temperature, and think that
the tests should deal with this.<br>
<br>
Also, people may use test input files as templates - especially for
simulations which are not covered by the tutorials. <br>
<br>
Ran.<br>
</div>
<blockquote cite="midfbd9b8d9215b.4a7be232@anu.edu.au" type="cite">
<div style="font-family: 'times new roman'; font-size: 16px;">
<div>OK, I can do that.</div>
<div><br>
</div>
<div>1) Generate reference data with 3.3.3 with .mdp options that 4.x
can reproduce, i.e. largely without T-coupling and with suitable grid
search options.</div>
<div><br>
</div>
<div>2) Generate a v-rescaling test with 4.0.5, and note that failure
will be expected if testing with 3.3.x</div>
<div><br>
</div>
<div>Any other gotchas?</div>
<div><br>
</div>
<div>Mark</div>
</div>
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