# Positive Binding energy MMPBSA

**URL:** <https://gromacs.bioexcel.eu/t/positive-binding-energy-mmpbsa/1020>\
**Category:** User discussions\
**Created:** [October 29, 2020, 9:54pm UTC](https://gromacs.bioexcel.eu/t/positive-binding-energy-mmpbsa/1020 "2020-10-29T21:54:59Z")\
**Posts on this page:** 1\
**Showing post:** 2

<div class="post-metadata">

**Author:** ![jdandrade](https://avatars.discourse-cdn.com/v4/letter/j/848f3c/32.png) [@jdandrade](https://gromacs.bioexcel.eu/u/jdandrade)\
**Post date:** [October 30, 2020, 2:35am UTC](https://gromacs.bioexcel.eu/t/positive-binding-energy-mmpbsa/1020/2 "2020-10-30T02:35:38Z")

</div>

Hi @subhomoiBK.

As I explained in the topic below:

> [@MM/PBSA for the latest gromacs versions](https://gromacs.bioexcel.eu/t/mm-pbsa-for-the-latest-gromacs-versions/926/8):
>
> Hi @ncheron . As I mentioned, my protocol only works with MMGBSA (All my three different attempts failed for MMPBSA). Also, it seems to need a fully compiled ambertools (no errors). Given that: A: Gromacs Files Preparation: load the environment variables from both gromacs and ambertools: source …/bin/GMXRC test -f …/ambertools/amber.csh && source …/ambertools/amber.csh Set a few variables for work: set JUMP = 10 set TOP = full\_system\_topology\_file.top set CTOP = dessolvated\_system\_…

I was unable to succeed in my MMPBSA calculations with g\_mmpbsa (pretty much se same issue), but I was successful with MMGBSA within ambertools.

I would suggest you to take a look at the instructions I provided and give it a try.

Best regards, take care.

---

_[View the full topic](https://gromacs.bioexcel.eu/t/positive-binding-energy-mmpbsa/1020)._