Hi,
I wanted to calculate J coupling constant from my MD simulations. I used gmx chi option to get 3J(HN,Ha) for the phi dihedral angle. Does GROMACS provide any tool to obtain 2J(N,Ca) instead of manually solving Karplus equation?
Is there a procedure to determine the wavelength of an industrial untreated raw effluent using spectrophotmeter
24 February 2020 1,931 3 View
I use PEG-1000 (poly ethylene glycol) in my synthesis process, but I only have PEG-400 and PEG-4000. So, what is an alternative to PEG-1000 ?
19 February 2020 2,142 3 View
I am conducting experimental simulations to study the PM 2.5 concentration.I have tried several chemistry options ranging from RADM2 MADE/SORGAM to MOZCART aerosol chemistry. The simulation...
21 October 2019 8,154 4 View
Dear frnds, From my point of view SSB is happening due to following reasons in double quantum wells. 1. Due to variational technique 2. symmetry in envelop function and...
19 October 2019 6,248 2 View
For a pure virus, HA can be considered as a way of representing their titre. even though it is cost effective and less labor intensive, it is less concerned. Kindly guide me in this matter.
04 July 2019 3,881 1 View
I want to purchase well characterized MDR strains of a Gram-negative bacterium from ATCC to look at modes of resistance. I am also going through literature to see if people have purchased a...
05 June 2019 7,721 1 View
Mott-Wannier excitons are formed in a semiconductor material as a result of light-matter interactions. However, their delocalizing properties inside the crystal induce screening effects in their...
10 February 2019 6,737 1 View
I am able to convert one .mhd file into .jpg.But unable to repeat the same operation for all the 10 subfolders in LUNA16 dataset.I am using python and SimpleITK to get the thing done.Basically,I...
19 November 2018 7,199 3 View
Hi I need help for my thesis. My thesis is about teaching fraction concepts for primary pupils and I struggling to identify the appropriate constructivism learning approach.
17 June 2018 5,152 8 View
I am trying to observe ingel activity of bacteriocin in native PAGE
07 March 2018 4,773 3 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
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
Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...
03 March 2021 5,978 5 View
Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...
02 March 2021 2,431 3 View
Hello, I have a mechanism where air rises due to convective flows. In this simulation, nothing is driving the air except this. I understand that the Boussinesq approximation only works for small...
02 March 2021 4,910 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