did you increase the size of the box in one direction in order to create a water/vacuum interface on each side of the water slab? best, Andre
On Tue, Dec 7, 2010 at 8:21 AM, vinothkumar mohanakrishnan <[email protected]> wrote: > Hi all > > I want to calculate the surface tension of water using SPC model of water. I > searched the mailing list and there is no post on the surface tension of > water.I performed md simulation of 482 molecules of water in a triclinic > box. I got the average surface tension value of water (300K) as 38.3299 bar > nm which is 3.832 mN/m where as the experimental surface tension value is > 71.6 mN/m. why my surface tension value is very low and what is the reason? > any help is highly appreciated. > > Regards > Vinoth > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
