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Questions related from Fedaa Ali
What is the final pH of 1L of 1M solution of sodium acetate (NaOAc) after adding 0.1 moles of HCl? And what is the ratio and molecular fraction of OAc- and HOAc (acetic acid)?
07 September 2021 7,538 5 View
Hello, I am trying to perform MD simulation for the protein-ligand system and I got this after Minimization. I used openMM for minimization and I used ambertool for protein-ligand...
21 January 2021 2,133 2 View
Hi, I am going to perform MD simulation for the Nanoporous Graphen sheet. I know how to make the pores in VMD. But when I tried to make the data file it was lacking a lot of parameters such as...
21 November 2020 3,718 2 View
Hello, I need to perform MD simulation for a protein embedded in a mixed membrane bilayer with certain concentrations of different lipids (sqd, dgd, and mge lipids). I didn't find tutorials for...
18 October 2020 6,579 3 View
Hello, After I minimized the protein structure I used editconf in gromacs to convert the minimized GRO file to PDB. when I visualized the PDB file produced, it was totally corrupted which...
10 October 2020 896 4 View
Hi, I am trying to minimize the photosystem I protein complex using gromacs, and I am getting this error ' ERROR 1 [file topol_Other_chain_A2.itp, line 3339]: Atomtype FEJO not found' when...
10 December 2019 4,554 3 View
I am working on Iron sulfur clusters, I need to perform broken-symmetry DFT using ORCA. I need to study the low spin clusters which means that I will have clusters with 1) 1 Fe+3 and 3 Fe+2 2)...
09 February 2019 6,737 2 View
Hello.. I am working on iron sulfur clusters in the photo-system I, After optimizing the clusters the coordinates transforms to another frame, what I need to do is to transfer back to the...
02 December 2018 1,216 6 View
