Hi Ran! Good point, in Lippert et al. they didn't use (or is not clear) thermostats. And yes, I guess you're right.
Thanks Alan On Fri, May 14, 2010 at 09:27, <gmx-users-requ...@gromacs.org> wrote: > Hi Alan, > I don't think using single precision is much of a problem when using > thermostats, regardless of the constraint on the water. > > See also Berks' comments: > http://oldwww.gromacs.org/pipermail/gmx-users/2010-March/049137.html > http://oldwww.gromacs.org/pipermail/gmx-users/2010-March/049152.html > > Ran. > -- Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate Department of Biochemistry, University of Cambridge. 80 Tennis Court Road, Cambridge CB2 1GA, UK. >>http://www.bio.cam.ac.uk/~awd28<<
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