conversion .dat file to agr file

[faryal....@gmail.com]

Dear g_mmpbsa users

I used "python MmPbSaDecomp.py" to calculate final contribution energy of each residue from individual energetic terms obtained from the g_mmpbsa . and now I need to convert the final_contrib_energy.dat to a .agr or .xvg file to obtain its plot. Is there anyone who can help me how can I get access to this files?

Thanks in advance
Farial


[g_mmpbsa Mailing List]

Just open .dat file with xmgrace. You do not need to convert anything. For example:

xmgrace -nxy final_contrib_energy.dat