Hi Ran!<div><br></div><div>Good point, in Lippert et al. they didn't use (or is not clear) thermostats. And yes, I guess you're right.</div><div><br></div><div>Thanks</div><div><br></div><div>Alan<br><br><div class="gmail_quote">
On Fri, May 14, 2010 at 09:27, <span dir="ltr"><<a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;">
<div id=":13g" class="ii gt">Hi Alan,<br>
I don't think using single precision is much of a problem when using<br>
thermostats, regardless of the constraint on the water.<br>
<br>
See also Berks' comments:<br>
<a href="http://oldwww.gromacs.org/pipermail/gmx-users/2010-March/049137.html" target="_blank">http://oldwww.gromacs.org/pipermail/gmx-users/2010-March/049137.html</a><br>
<a href="http://oldwww.gromacs.org/pipermail/gmx-users/2010-March/049152.html" target="_blank">http://oldwww.gromacs.org/pipermail/gmx-users/2010-March/049152.html</a><br>
<br>
Ran.<br></div></blockquote></div><br><br clear="all"><br>-- <br>Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate<br>Department of Biochemistry, University of Cambridge. <br>80 Tennis Court Road, Cambridge CB2 1GA, UK.<br>
>><a href="http://www.bio.cam.ac.uk/~awd28">http://www.bio.cam.ac.uk/~awd28</a><<<br>
</div>