Hi guys,
Does anyone here have a tutorial showing how to optimize geometry molecular using General Amber Force Field in avogadro? Thanks !!
This feature is similar to gaussian's clean. Try to correlate both.
Hello: I am looking for articles that address e-commerce businesses and COVID-19 survivors, as well as Entrepreneurial strategies that reflect e-commerce businesses. Blessings Evelyn Dempsey
05 August 2024 5,332 3 View
A lysis buffer comprising of 2%SDS, 10Mm EDTA, 0.5M NaCl, 10Mm Tris HCl was used to homogenize brain, kidney and liver tissue. DNA was extracted using the phenol chloroform method. 0.7%agarose gel...
31 July 2023 3,746 2 View
I am working on a project with the goal of creating a slow release pill using a gel layer around the pill itself. I am trying to solve for the concentration profile for this using the general mass...
19 April 2023 7,049 2 View
I would like to optimize the immobilization of laccase on rice husk biochar. Prior the assay, I mix the rice husk biochar, glutaraldehyde and laccase in citrate phosphate buffer (pH 4.0) for 4...
10 January 2023 6,697 0 View
Fellow colleagues, I am stacked in my analysis now. I am performing this task in #arc#gis pro,...
13 October 2021 6,322 2 View
I've been using A549s for the past couple of years to transfect in my protein of interest for imaging. Recently I've started to experience issues with transfecting cells seeded on glass...
27 January 2021 6,957 3 View
Dear Fellows. I have created land-use maps of two time periods. I have created the change map which shows all the changes from one class to the other, however, I want to create the transition...
28 August 2020 9,375 2 View
Does any of my colleagues have the following paper in pdf format? Schweitzer, H.-J., van Konijnenburg van Cittert, J.H.A., van der Burgh, J., 1997. Die rhäto–jurassischen Floren des Iran und...
04 May 2020 9,979 4 View
Measuring business performance Organisations face the intense pressure of carrying out their processes efficiently, effectively and sustainably every day (Ghosh & Fedorowicz, 2008). Companies...
30 March 2020 1,809 4 View
I am interested in engaging the voices of AD through empirical process to understand the personal embodied experiences of memory loss in different social cultural context. Echoing Moloncon (2017),...
17 October 2019 1,461 1 View
We intend to study the interaction between peptides and polymer (like PP, PE and PS) through MD simulations using Martini force fields ( Martini 2 for PP and Martini 3 for PE, PS). We have...
08 August 2024 4,842 0 View
Hello. I have the geometry of a blade in CAD file (stp) and I want to prepare the blade for meshing with turboGrid. I must import this file into designModeler and then transfer to the...
27 July 2024 356 3 View
Dear Siesta Users, I installed Siesta 5.0.1 and I want to use Grimme's D3 correction. According to the 5.0.1 manual, I could use a few parameters to include the D3 correction in the...
27 July 2024 5,748 0 View
Hi everyone, I am working on a curved domain in which a ship is situated in the middle (geometry is given below). In my understanding the general fluid flow is parallel to the x axis from inlet to...
25 July 2024 9,058 4 View
We assume that there is a physico-statistical meaning to the constant π other than circular geometry, but the iron guardians of the Schrödinger equation deny this. The iron guardians of the...
22 July 2024 4,285 9 View
Hello, I'm trying to create parameter and coordinate files for a drug (PRG-A01) found on the following page: http://www.probechem.com/products_PRG-A01.html I used the guide made by Michael...
17 July 2024 3,472 3 View
I have been able to assign the CHARMM forcefield to my ligand i.e. acetyl coenzyme A but not the amber forcefield. I want to run amber forcefield and the parameterization of ligand is failing. I...
15 July 2024 7,323 1 View
I want to know more about gas and oil reservoirs in Iran.
14 July 2024 3,350 2 View
Dear All, I have a PDB structure for a complex and large polymer. I need to perform MD simulations using the OPLS-AA force field. I obtained the force field parameters from LigParGen and created...
11 July 2024 5,109 0 View
Hello, Dear! Generally, I used CHARMM36 + cgenff force field for simulaiton. But,, due to certain parts of lignad, force field cannot be generated using Cgenff. Can I use different force field...
10 July 2024 9,513 3 View