I am looking for an equilibrated CHCl3 box for CHARMM FF. Thanks for a link or sharing
Thank for this question
Hiiiii everyone! I have an enquiry on statistical analysis. I was looking for many forum and it's still cannot solve my problem. I want to compare means of two groups of data but only with two...
03 March 2021 8,796 3 View
I would like to create a small guide containing the meanings of the names .. Thanks to everyone who cooperates with me in achieving it.
03 March 2021 5,266 4 View
Is There Any Feasible Method To Test The Efficiency Of Fluorescent Compounds Other Than UV Spectrometers ? Suggestions Would Be Appreciated !
02 March 2021 5,785 3 View
How to do Piezoelectric coupling in ANSYS-APDL or COMSOL between tapered substrate and rectangular piezoelectric patch? Piezoelectric coupling between the rectangular substrate and rectangular...
02 March 2021 9,833 3 View
I am going to have 3 different probes in my qPCR work that I am going to do. But I realized that the machine we have in the lab is a Rotor-Gene Q 2plex HRM Platform, saying it has green, yellow,...
01 March 2021 8,544 1 View
Is the electropolymerisation of polyaniline coating over stainless steel (SS) via Cyclic voltammetry technique is really adherant? Else how to improve the adhesion of the coating, whether any...
01 March 2021 8,220 2 View
I have created an Ice 1h crystalline structure and an Aluminium substrate structure and equilibrated both at 250K. Now I need to bring them together in a way that an adhesive bond is created....
01 March 2021 3,325 2 View
Does anyone have the experience of using Taq Man probes in the QIAGEN Rotar- Gene qPCR machine?
01 March 2021 5,311 1 View
When explaining substitution models, the substitutions are expressed as Q matrix. Why is the sum of the elements in a row zero?
28 February 2021 3,864 3 View
Hello, I have simulated a single battery cell using Thevenin equivalent circuit. For a battery pack, I have a large number of cells connected in series and parallel connections. Is there any way...
28 February 2021 2,116 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
Hello, I was wondering the best way to build an orthogonal box filled with a defined crystal structure in ASE. I know it could be easily done in LAMMPS, but I guess it is also doable in ASE. The...
21 February 2021 5,899 4 View
Hello, I'm working on removal of methylene blue. 01. in the dark test very first reading is taken 15 minutes after adding adsorbent to the dye solution and that UV absorbance reading is very...
19 February 2021 472 5 View
I have been reading this paper Soft Matter, 2017, 13, 1904 and in this paper, they simulate benzene in GROMACS using CHARMM. They mention that they performed simulations of benzene using the...
15 February 2021 5,561 3 View
Good day everyone! I am a Biochemistry undergraduate in the Philippines and to be very honest, we have no background in bioinformatics since we really focused on wet lab techniques + theory. Due...
15 February 2021 3,422 4 View
All, I am trying to equilibrate an Ice 1h crystalline structure to 250K in LAMMPS. When I tried to do this at 250K directly, the structure lost it's crystalline shape and became disordered post...
14 February 2021 5,747 2 View
Hi all. I have a set of coordinates of bounding boxes for AVA Dataset. This dataset is used in action recognition. My goal is to get the areas around the people (people are inside boxes) and do...
13 February 2021 2,538 2 View
I am trying to do some MD simulations of a protein with zinc ions. I am trying to use a charmm forcefield (I have tried 2017 and 2021) and Gromacs. I get an error when doing pdb2gmx Residue 'ZN'...
12 February 2021 9,367 2 View
I am investigating the influence of Trait Emotional Intelligence(TEI) and Communication styles (specifically Precision and Expressiveness styles) on Academic performance. I am now in a fix as to...
10 February 2021 7,630 3 View
I am trying to use the following command in GROMACS to generate a CHARMM topology file: gmx pdb2gmx -ff charmm27 -f amp.pdb -o amp.gro -p amp.top The atom list in my pdb file (amp.pdb)...
01 February 2021 7,769 6 View