How do you correct bond order in mol2 files for gromacs?

Hello, I am just learning to use gromacs following this tutorial: http://www.mdtutorials.com/gmx/complex/02_topology.html In the tutorial there is a script for rearranging the bond order of the...

16 January 2019 7,439 1 View

How to successfully build a minigene?

19 April 2017 6,234 2 View

Can primaquine fail to kill putative extra-hepatic dormant stages of Plasmodium vivax, resulting in malarial relapse?

Despite treatment with the anti-relapse drug primaquine, Plasmodium vivax malaria often recurs. One reason might be related to CYP 2D6 (Marcsisin SR, Reichard G, Pybus BS. 2016. Primaquine...

11 September 2016 5,301 12 View

What actually is Research?

Having undertaken research, both qualitative and quantitative and recalling an old quote "Research is the rigorous search for knowledge". Is that really or still the case? This is where I thought...

12 January 2014 1,069 10 View

Troubleshooting protein purification?

Bound clarified lysate for 1hr @ 4C in 150mM Tris, 50mM NaCl, 40mM Imidazole.

23 February 2013 5,194 17 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

What is the most Operating System (OS) which can be INSTALL on Tiny hard devices like Raspberry Pi (RPi) hardware ?

I'm targeting to deploy a mesh network and manually configure MANET routing protocols. I'm preparing scenarios, architectures, and hard devices needed to do that. Are there some step-by-step...

03 March 2021 1,931 5 View

Can we classify HV and LV lines based on line length?

I have dataset which shows the length of power lines. I need to classify the lines based on the line length. Is there a rule to classify the High voltage (HV) and low voltage (LV) lines based on...

03 March 2021 4,116 4 View

What are the values needed for gabor filter's parameter for cifar10 data?

Hi, I implemented a code to gabor filter cifar10 data but the images after being filtered and stacked are not clear like the original images. I think the problem is in the way I am using the...

03 March 2021 6,317 1 View

Is there a classification scheme for rock cavities or caverns with respect to their size and shape?

The range of forms and sizes of cavities in rock is very big. Is there a classification scheme for rock cavities regarding their size and shape?

02 March 2021 4,511 3 View