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Questions related from Ayzeha Kalsoom
The MD simulations using gromacs 96 force field was done on a compound obtained after semi-flexible docking and flexible docking. The protein was also simulated in water. Comparing the docking...
26 June 2013 6,561 4 View
I have simulated the protein in water and 2) protein with ligand now I want to check the g energy in gromacs for both system individually and then combine to one plot. How could I do this?
23 May 2013 1,171 6 View
I am just new to gromacs. Can anyone please help me in correcting these charges for the itp file, i.e. how to adjust them? These have been generated by prodrg, I have read the article for...
30 April 2013 4,021 1 View
