Re: regarding gmx_MMPBSA_ana

[Mario Sergio Valdes]

Yes. You can open it every time you want, executing:

In the calculation directory:

gmx_MMPBSA_ana 

or specifying the folder or file

gmx_MMPBSA_ana -f /path/to/folder/or/file (COMPACT_MMXSA_RESULTS.mmxsa or _GMXMMPBSA_info)

Please, check this section (https://valdes-tresanco-ms.github.io/gmx_MMPBSA/dev/gmx_MMPBSA_ana_running/)

El domingo, 26 de marzo de 2023 a las 22:05:53 UTC-5, deepas...@gmail.com escribió:

Sir,

Is there any way to reopen the gmx_MMPBSA_ana tab once closed?

[Nikhil Maroli]

Obviously, it is wrong. 

You calculated the per-residue contribution, and it gives something else.

[marioe911116]

could you please share a folder containing the files you are using (all the files produced in the calculation)?

El lunes, 27 de marzo de 2023 a las 7:26:32 UTC-6, deepas...@gmail.com escribió:

So what is the solution?

[DEEPASREE K]

Ok Sir.