Mansi ..

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Questions related from Mansi ..

How to plot 3D Free Energy Landscapes from MD simulations with Gromacs?

Hi all, I'm trying to plot Free Energy Landscapes from Gromacs after using the gmx sham function. After using the command: gmx sham -f PCAplot2d.xvg -notime -ls gibbs1-2.xpm (where PCAplot2d.xvg...

07 January 2024 6,446 0 View

How to generate topology file for ligand in Gromacs?

Please suggest server/ software to create ligand topology files. I am using Gromos43a1 force field.

19 March 2023 2,917 3 View