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Questions related from Juganta K Roy
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...
07 July 2014 4,497 10 View
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...
07 July 2014 583 4 View
Dear All, I did NPT simulation of my Polymer-Water system in Gromacs. Now, I want to calculate the how the cross-sectional area of the simulation box changing with the time. I got the box vectors...
07 July 2014 866 4 View
Dear All, I am doing simulation of an epoxy polymer and water system in gromacs using charmm27 forcefield. I got required temperature (300K) in NVT after 500 ps simulation and in NPT 30 ns...
06 June 2014 4,804 4 View
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...
07 July 2013 5,137 11 View
