[gmx-users] tail correction in surface tension
DYu at dow.com
Sat Oct 4 16:57:04 CEST 2014
I am doing surface tension calculation with Gromacs for SPC/E water.
The value I got is about 57 dyn/cm, a little off from 61 or 62 dyn/cm.
>From previous papers, a tail correction (about 4.4 dyne/cm) is needed to correct this value I calculated.
My question are: Is tail correction implemented in Gromacs?
Is dispersion correction option in mdp file the same as tail correction?
If not, how do I do tail correction?
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