Can anyone suggest that how to convert desmond trajectories into gromacs ?

AS, I have run 100 ns simulation in desmond on protein-ligand complex. Can anyone help me out to converting the desmond trajectories into gromacs, thus i can further perform pca analysis. Thanks...

02 March 2018 3,570 3 View

How to solve this issue? Please help me out.

04 May 2017 2,464 0 View

How to solve this NVT gromacs error ?

NVT steps Command : gmx grompp -f NVT.mdp -c EM.gro -p topol.top -n index.ndx -o nvt.tpr Error: Fatal error:[ file strong_posre_make_ligand.itp, line 5 ]:Atom index (4579) in position_restraints...

07 August 2016 1,946 1 View

Does anyone have any idea about how to convert linear peptide into cyclic peptide using Bioinformatics tool?

Does anyone have any idea about how to convert linear peptide into cyclic peptide using Bioinformatics tool? Thanks and Regards.

01 February 2015 3,126 5 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View

How to calculate average trend in maximum annual NDVI from MODIS?

I am wanting to calculate the average trend in maximum annual NDVI in Iceland from 2010-2020 using MODIS MYD13Q1 V6. How would I do this? I have currently inserted the NDVI bands from the MODIS...

02 March 2021 752 2 View

In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein?

Hi In Molecular Dynamics Simulation, how do I make changes to the force field according to my protein? I got this error in the add-ion stage: Fatal error "./ amber99sb-ildn-HHH.ff / force...

01 March 2021 8,747 4 View

Why does two different bioinformatics tools for the same proteins show different subcellular localizations?

During a computational analysis, I found that for a protein of a plant, two different subcellular localizations are seen using CELLO and WoLF PSORT. For example, in CELLO, it identified the...

01 March 2021 6,729 2 View

What is the most suitable server for predicting protein structures in bacteria?

I have used the i-Tasser several times, however it has been unavailable for several days. I tried the swiss-model, but the output was not very pleasant due to the model used. Is there any other...

28 February 2021 4,521 3 View

What is Flat Lens Antenna?

28 February 2021 5,433 3 View

What is the difference between genotype and haplotype data in the ped format?

Hi everybody In the ped format for genotype, alleles of any SNP are represented by two columns (one for each allele, separated by a space). Is a column sufficient for the haplotype to...

27 February 2021 1,965 1 View

I have need of XRD graph analysis software for phase identification. Can you please provide links for software tools which can be downloaded?

i am trying to download x'pert high score software, but can't download it. please do suggest software for phase analysis

24 February 2021 5,687 4 View

Why does the sum of reaction forces not match the force component of a Free Body Cut in Abaqus?

I am using Abaqus to simulate a plate with in-plane loading. The boundary conditions allow the right edge to move up and down, the displacements on the left edge are fixed. There is no rotation...

23 February 2021 711 3 View

Please suggest me the simplest way to understand the in-silico analysis of any gene?

I want to understand the basics of docking, and also know about all bioinformatics tools which are free of coast and helpfull in in-silico analysis?

22 February 2021 8,879 2 View