Hello everyone, please help to solve a gmx_mmpbsa error! I am getting error during generation of Amber topology from gromacs file..log file attached?

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GSH estimation assay: What is the right choice of standard?

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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

What exactly is RAG-LLM doing? Isn’t it data engineering?

What exactly is Retrieval Augmented Generation for Large Language Model doing? Isn’t it data engineering?

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Does anyone have experience electroporating SKOV3 cells with a large plasmid using Neon transfection?

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After a lot of feature engineering for CTR modeling, it feels like it's basically the end of iteration? I mean, it's not cost-effective to keep doing?

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29 July 2024 4,955 0 View

How to estimate sample size for GWAS of continuous and discrete traits? What are the pre-requisites?

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All math can be explained by iterator of code?

all math can be traversed by code? all math can be translate to code?

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What is the main used curing agent for epoxy based coating?

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

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How to solve g_mmpbsa error?

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Gromacs first step of minimization ?

I have face this problem anyone help me how to solve this issue ?which is below Fatal error: There are inconsistent shifts over periodic boundaries in a molecule type consisting of 78 atoms. The...

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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.

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

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JCPDS 65-7246 file please?

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How to back transform the results generated from analyses using log transformed with In(X+1) data?

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