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Questions related from Papia Chowdhury
Gromacs molecular dynamics simulation with three ligands stops at equilibration. Outpu is: starting mdrun 'Protein in water' 50 steps, 0.1 ps. step 0 Step 3, time 0.006 (ps) LINCS...
07 September 2020 6,291 3 View
After successfully carrying out a 10ns MD simulation of a protein-ligand complex from gromacs, i use the files obtained from the final mdrun to calculate g_mmpbsa. However, the process is stuck at...
24 June 2020 9,191 5 View
I am following http://www.mdtutorials.com/gmx/complex/index.html However, there are multiple errors. After reaching the Adding Ions step (http://www.mdtutorials.com/gmx/complex/04_ions.html), I...
18 June 2020 4,256 3 View
