[gmx-users] Surface tension Coupling

[Hector Mtz-Seara]

Thank you a lot Dr. Andre' Farias de Moura,

For now just one more little thing. I know that the surface tension as 
well as the presure is calculated from the virial. And I knows that it 
can change quite a lot in single precision of gromacs due acumulation of 
errors. You belive is necesary to run all the simulations of the 
monolayers with double precision in order to obtain an impovement in the 
mesure of the surface tension or is just a way of loosing cpu time?.

Thanks in advance.
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Hector Martinez-Seara Monne

Universidad de Barcelona

Dept. Quimica Fisica

<hseara at netscape.net>
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