I have Gromacs 2019. when I want to run mdrun by GPU command I faced this error " Fatal error: Unexpected cudaStreamQuery failure: an illegal memory access was encountered. what is the problem and how I can solve it?
Hello, I have performed two westerns in parallel, one using fresh buffer (made with old 10X tris-glycine) and the SDS gel was made 4 days prior to western; and the other western was performed...
03 February 2021 9,311 5 View
I have transformed some DH5alpha cells with point mutated proteins placed in pcDNA plasmid and extracted the plasmid; now I have to send the plasmid for sequencing for confirming the presence of...
19 January 2021 5,842 3 View
Could you help me with, how can I decrease the fluorescence background for Raman Spectroscopy?
18 May 2020 7,685 11 View
What are the differences between Raman spectroscopy of amorphous and crystalline carbon materials?
30 April 2020 3,435 8 View
In the result of the test for Raman spectroscopy, there are many broad peaks that including a lot of information. In fact, How can I correctly separate those peaks?
26 December 2019 3,460 3 View
I am developing a research on the link between poverty, natural resources management and climate change in Nigeria and need some guidance.
11 December 2016 7,577 0 View
can i use b-actin as control gene in real time PCR? because in articles that i have, they use GAPDH as a control for real time pcr and b- actin for western blot. i do not know why and what is...
01 May 2016 5,781 10 View
What are the basic fertility destructive factors of tropical soils? Temprature; Effluents; Compaction?
02 March 2016 8,868 17 View
Biological? Physical, or chemical?
07 August 2015 9,700 3 View
10 March 2015 5,728 11 View
Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...
03 March 2021 9,989 2 View
Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...
28 February 2021 5,650 1 View
Dear all, I am trying to perform a MD simulation about the interaction between CO2 and a polymer. I create my model, solvate it and perform the NVT and NPT equilibration. Now I am not able to...
26 February 2021 10,014 3 View
I want to get a average structure from a pdb file containing multiple models. I used the command below: gmx cluster -f input.pdb -s topol.tpr -cutoff 20 -method gromos -av GROMACS...
25 February 2021 6,314 1 View
System Description Cuda 11.2 GeForce GTX 1080ti tensorflow version 2.4.1 keras version 2.2.0 python version 3.8 I was getting the below error when I try to run my code on the...
25 February 2021 6,673 2 View
During topology preparation using pdb2gmx Protein_chain_A and Protein_chain_B were identified. However, when production MD was completed and I proceeded to do analysis, I find this list : Group...
23 February 2021 5,065 8 View
Is there any way to construct different initial filler shapes like triangle, square, rectangle, pillar, and tube in any simulation software.
20 February 2021 1,750 1 View
I have a cellulose model system that is best described by the GLYCAM06 force field according to the literature. However, the set of force fields included in the GROMACS package doesn't include the...
20 February 2021 3,309 3 View
I have done energy minimization of DNA using Gromacs with tutorial lysozyme in water. The potential energy curve show a steep drop.
18 February 2021 4,822 2 View
I am trying to calculate the rdf of water molecules present inside the Carbon nanotube. I tried to do the indexing first using gromacs tool gmx selection. But when it comes to calculating rdf, I...
17 February 2021 1,066 3 View