Dear gmx-users, Although this task has been already discussed few years ago (http://lists.gromacs.org/pipermail/gmx-users/2007-January/025668.html) the full summary is not clear to me. So I would really appreciate if somebody could give me advice on the following subject.
I am trying to simulate an aqueous solution of NaCl. One of the properties I am interested in is surface tension, which means that correction to the pressure could be quite important. But the system is heterogeneous: values of C_6 differs from 0.0003 (for Na-Na) to 0.0180 (for Cl-Cl), so they are not comparable. Is it worth to use dispersion correction in such a system? Or such results will have no real meaning and the proper way would be to switch off the dispersion correction and just increase cut-off (or perform rerun with higher cut-off)? Thanks you very much in advance, Mikhail ============================================= Dr Mikhail Stukan Schlumberger Dhahran Carbonate Research Center, Dhahran Techno Valley - KFUPM, P.O. Box 39011, Dammam / Doha Camp 31942, Kingdom of Saudi Arabia Tel: +966 3 331 0300 ext 6182 Fax:+966 3 330 0845 mstu...@slb.com<mailto:mstu...@slb.com>
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