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**Describe the issue**
gmx_MMPBSA installation issue
**_If you will report an error, please complete this form_**
**To Reproduce**
```
$source home/byun/apps/AMBER/amber20_src/amber.sh
$conda …
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Hi,
I have followed the previous issue about this error, however I still unable to solve this problem.
in my ~./bashrc, I have put the path:
source /home/user/Coral/software/amber20_src/am…
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Hello sir,
After installation of gmx_MMPBSA , i'm getting error while running the code.
~/Downloads/amber20_src/bin$ gmx_MMPBSA
Traceback (most recent call last):
File "/home/user/Downloads/am…
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I reinstalled amber20 with miniconda3 and python3
But I have encountered another problem and below is the gmx_MMPBSA.log
```
[INFO ] Started
[INFO ] Loading and checking parameter files for…
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### My Question is...
Hi!
I reconstructed my system's( containing Boron) topology parameters to be in line with Charmm. I'm also using a custom forcefield( got it from a paper) that incorpora…
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PLEASE ATENTION!
It work well at v1.2.0, untill I updated gmx_MMPBSA by:
`pip install gmx-MMPBSA --upgrade`
protein_forcefield="oldff/leaprc.ff99SBildn"
gmx_MMPBSA v1.3.1 based on MMPBSA version…
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Dear gmx_MMPBSA developers.
Hello. Because I want to use "`gmx_MMPBSA`", I took a look tutorial examples. There is a option for a ligand; -lm option which required the ligand mole2 file from Antecham…
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thanks, I want to find a tool to do this.
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Hi,
I am running a heterodimeric membrane protein (2 chains) with a ligand. I have tried with both a *.gro and a *.tpr file as input.
I installed AmberTools20 with conda and then did pip install g…
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After fresh installation of Amber 20 gmxmmpbsa was installed as mentioned on your websire. While running the given test tutorial I'm finding error.