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Dear gmx Users, I want to use g_density to characterize the interface of water-polymer in case of NPT simulation by using both mass and number density in gromacs-4.6.5. But when I googled, I got...
31 July 2014 2,761 4 View
I want to calculate the number of water molecules diffused around the polymer-water interface as well as in the bulk polymer. In my case, the x-direction length is decreasing. I tried with...
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I am a new user of GOMACS. My system contains Polymer and Water. I used gromos53a6 force field and spc water model and it ran nicely. But now I want to use TIP3P water model with the same force...
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