How to solve g_mmpbsa error?

Saleha Hafeez @Saleha-Hafeez

08 August 2024 0 6K Report

Program: g_mmpbsa, version 2024.1

Source file: extrn_apbs.cxx (line 152)

Fatal error:

Failed to execute command: $APBS pybYcUWA.in --output-file=pybYcUW.out

Badges
Science topic

Similar topics
Filing

More Saleha Hafeez's questions See All

Methods of teaching economics?

Answer should be based on institutional level

29 July 2024 1,506 4 View

Why binding energy is in positive number after performing mmpbsa?

I performed mmpbsa of protein-protein complex simulation on gromacs. My binding free energy is +166781. This complex is stable when experimentally produced in wet lab. In index.ndx I grouped...

19 July 2024 4,120 5 View

65% saturation of ammonium sulfate in 100 ml? (for protein precipitation)?

Hi All: I need to precipitate extracellular protein from supernatant. A bit confused with ammonium sulfate calculation. Should I be adding: 1. 65g of ammonium sulfate in 100 ml of...

09 July 2024 5,508 0 View

How to find the expected Kd value of a recombinant antibody?

We produced scFv of an antibody from bacteria. Now we want to establish dissociation Kd of antibody using quantitative elisa. How can i know the expected Kd value (range in nM, or mM)?

04 June 2024 2,602 5 View

Are protein models designed computationally patentable?

If we design proteins like tetrabody or triabody with unique binding sites in silico without further wet lab validation can we patent that structure and procedure?

01 June 2024 2,493 1 View

Opinions required on determination of function of hypothetical small protein?

So, I am working on a small protein (X) of Haloferax volcanii. It shows these results: 1. Mutant strain grows poorlycompared to wild type strain under low iron condition. 2. Growth of Mutant...

14 May 2024 9,037 4 View

Why Cell lines showing a high/low luminescent signal in the cAMP assay?

Hi I am Muhammad and working with an Sf9 cell line expressing neuropeptide receptors and using the cAMP-Glo™ Assay kit to measure the luminescent signal of these receptors. One of my cell lines is...

29 April 2024 8,564 0 View

How to start GROMACS simulation from a specific checkpoint?

My simulation suddenly stopped due to some reason. Now i cannot restart the simulation from previous checkpoint because it was not written properly. my _prev.cpt file is also corrupted....

18 April 2024 2,461 0 View

Suggest bioinformatics journals?

Please suggest bioinformatics journals which do not need wet lab experiments.

10 March 2024 2,919 6 View

How to simulate a complex at various pH on Gromacs?

We want to simulate a protein-cabohydrate complex at various pH ranging from 6.8 to 7.4. Can we do this on Gromacs?. Do we have to simulate complex at different constant pH or the system will...

05 March 2024 1,633 3 View

How do I replace a file with a more recent version of a paper that was uploaded to ResearchGate?

The paper in question is "Interpolation of Nitrogen Fertilizer Use in Canada from Fertilizer Use Surveys". This paper was very recently published by Agronomy (MDPI). Agronomy has, in the last day...

07 August 2024 9,934 3 View

How do you delete a duplicate pdf for the same paper on ResearchGate?

The first pdf file I uploaded had an error. So I uploaded an updated, corrected pdf of that paper with a different pdf name. I dpon't want the old copy to be download or read.

07 August 2024 9,508 1 View

AUX gas reading problem on QE with full MS and PRM method in one run?

Dear QE-users, In the method where full MS positive mode and PRM mode are used, we always get an incorrect auxiliary gas reading (41 instead of 25). This only happens in this method; other...

06 August 2024 4,953 0 View

JCPDS 65-7246 file please?

Dear Researchers Kindly share JCPDS 65-7246 file Thanks in advance

04 August 2024 5,613 1 View

Dirty and clean?

Hi everyone I need a file with a dirty and clean potato image

04 August 2024 7,199 4 View

How to change the version of the article full-text pdf file?

How to change the displayed full article text to its corrected version? In the file on the page of the journal where I published the article, there was an error in the text, the table is...

30 July 2024 3,229 2 View

Difficulty with permittivitt and Magnetic Permeability Calculations?

Difficulty with permittivitt and Magnetic Permeability Calculations Hello everyone, I have all the parameters related to the calculations of the permittivitty and magnetic permeability...

30 July 2024 5,206 1 View

How to do pca analysis of c-alpha atom of the protein?

i m interested in pca analysis of c-alpha atoms in gromacs for that i used the following gmx_mpi covar -s mdca.tpr -f mdca.xtc -o eigenvalca.xvg -v eigenvecca.trr -av average.pdb -n index.ndx but...

30 July 2024 1,607 1 View

CAD File of human's & rat's respiratory airways ?

Dear all, I am working on particle deposition in human's & rat's respiratory airways using CFD and I am looking for the 3D CAD file for my simulations (STEP or IGES format). If somone has such...

29 July 2024 1,092 2 View

Why running a restart analysis in Abaqus in Ubuntu OS gives an error as attached when running the same job in Windows doesn't give any error and runs?

I am trying to run a restart analysis, which imports deformed configurations of parts from a generated ODB file. It runs fine in Windows OS but when I try to run it in Linux OS, it is giving some...

29 July 2024 9,572 3 View