GROMACS modification: Yes/No
I got the following
tatistics over 2636 steps [ 0.0000 through 2635.0000 ps ], 1 data sets
All statistics are over 2087 points (frames)
Energy Average Err.Est. RMSD Tot-Drift
Potential 7.15491e+07 7.7e+07 3.42742e+09 -4.59299e+08 (kJ/mol)
Is this value acceptable and can I proceed for further equilibration step. I am new to gromac I earlier run tutorial lysozyme in water and the energy minimization average was negative score. But here I use modelled protein for MD and I got positive average as indicated above.
Kindly guide me.
The protein has 11482 atoms
solvent molecules 94698