[gmx-users] Cavity size calculation

[David van der Spoel]

On 2014-03-19 06:21, Praveen Kumar wrote:
> Dear all,
>
>    I want to calculate cavity size inside some liquid in which CO2 is
> dissolved. Can somebody help me?
>
>
>
> Thanks.
> PRAVEEN KUMAR
>
The development code for gromacs has a free volume calculation tool. See 
Environ. Sci. Technol. 47 pp. 7421-7429 (2013)

-- 
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se