There are 80 residues in your selected group
dssp cmd='/usr/bin/dssp -i ddWL6jqm 2>/dev/null'
Reading frame 0 time 0.000
Back Off! I just backed up ddWL6jqm to ./#ddWL6jqm.1#
Our team is designing a smart water C&C dashboard for a smart city initiative. As we look into the current smart water system landscape, we couldn't reconcile to a definitive solution that...
16 February 2021 1,094 3 View
I used Type169 for data exchange between Python and TRNSYS. Unfortunately, facing the following error. No proper documentation is available for this part. TRNSYS Message 105: A TYPE was called in...
14 February 2021 5,577 1 View
Can Amine (such as Et3N) be used as solvent as well as base for the Sonogashira Coupling? How to decide the amount of solvent to be used in any reaction? Does the amount of solvent affect the...
14 February 2021 4,018 3 View
I'm working on gram negative i want to use any natural extract (plant extract) or triple drug combination against its biofilm formation.
14 February 2021 1,403 3 View
I am working on a biosensing project on paper substrate, however, it is found that the RNase contamination occurs on the filter paper. Might I ask is there any method to clean the paper surface...
12 February 2021 3,926 3 View
Hi everyone, I would really appreciate it if someone can tell me when and why a raw fluorescence starts below zero. In the picture attached below the blue colour curve starts from a negative...
09 February 2021 4,642 3 View
This is a follow-up on an earlier question regarding mechanistics of vaccines: why current vaccines don't block transmission. In summary, they don't engage mucosal immune cells to produce IgA....
08 February 2021 8,321 3 View
In Abaqus I know that there are two methods for incrementation (Automatic and fixed incrementation). I want to control the incrementation by myself. I want to input the values of load increment...
03 February 2021 6,943 3 View
I am working with rectal swab samples in the field of colorectal cancer research. Does anyone have experience (or can point towards any relevant literature) of specifically working with proteins...
02 February 2021 3,622 3 View
Dear all. I'm modeling the RC column with cyclic displacement by Abaqus-Explicit. The concrete model used Concrete Plastic Damage model. However I'm facing with a error about the excessive...
01 February 2021 7,726 1 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
Also when RHAMM binds hyaluronic acid, they get internalized, will RHAMM also be degraded? Or both CD44 and RHAMM will be transferred back to the cell membrane? Asking for breast cancer cell line...
01 March 2021 8,169 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
We have recently purchased a triaxial test instrument (MATEST) for testing different types of soil. After installing software, we are facing a issue of saturation where the samples does not...
23 February 2021 7,194 4 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