Hi :D

I'm using Gromacs 5.1.5 for MD simulation.

For binding energy calculation, I used g_mmpbsa (version 5.1.2)

I simulated the protein for 150ns and nojump of my xtc file. Then cut last 50ns for binding energy calculation.

I used commend:

./g_mmpbsa -f last_50ns_Fc4_run3.xtc -s md3.tpr -n index_Free_energy.ndx -i mmpbsa.mdp -pdie 2 -pbsa -decomp

But I got an error:

Program g_mmpbdsa, VERSION 5.1.2

Source code file: /home/rejendra/software/groamcs_source/gromacs-5.1.2/src/gromacs/utility/futil/cpp, line: 469

File inpur/output error:

p3aK5HhA.pqr

How can i solve the problem?

I didn't get this kind of error before. So I don't know what should i do.

I did simulation and calculation with same sequence (with other seed number), and I was successfully finished for calculation.