Maryam Shahrami

6 Questions 2 Answers 0 Followers

Questions related from Maryam Shahrami

Why NVT step`s .tpr file is not generated in Steered molecular dynamics system?

Hello, I am working on a peptide nanotube x drug system and I'm applying smd simulation on it, the problem is that, when I introduce restraint the .tpr file is not generated and the only message...

20 June 2024 8,187 0 View

Why Lipid bilayer is tangled in some regions in the output of nvt step of Molecular dynamics?

Hello, I have a question about molecular dynamics and I wi be appreciated if you answer me please. I have performed nvt equilibration step on a system consisting of lipid and cyclic peptide...

11 May 2024 6,523 1 View

How can I eliminate this error in "read.fasta.pdb" function in "Bio3d package" of R programing language ?

Hello, I have another problem with Bio3d package functions and I will be really appreciated if you help me with this. I receive this error using 'read.fasta.pdb" function, the pdb file of my...

06 February 2022 1,375 2 View

How can I eliminate this error in "PDB2aln.ind" function in "Bio3d package" of R programing language ?

Hello, I have a problem with one of the functions in Bio3d package in R programming language. The problem is that to have the analysis with "pdb2aln.ind" function, I should have a sequence file...

15 January 2022 8,466 2 View

Is it possible to recognize "Oxidation Degree of polymer" from FTIR?

I have a problem with reaching Aqueous solution of alginate oxide. I have been checked the functional groups of my final result and there is no problem with the Oxoiodide . Maybe the problem is...

07 August 2021 820 5 View

How can aqueous solution of Alginate Oxide can be reached?

I`m having trouble with solving Oxidized Alginate (the oxidation was done by Sodium salt of Periodate) in water. Can anyone help me reaching the aqueous solution of this substance please? or Is...

11 June 2021 3,466 0 View