Langevin Dynamics in shear flow?

Hi, We are trying to simulate particles with Langevin dynamics in a shear flow by Lees-Edwards boundary conditions in MD simulations. It seems thermal forces and shear flow do not go hand in...

23 February 2021 1,761 1 View

How, if at all, can R scripts/packages be used to perform cluster analyses and motif analyses on digital trace data?

02 February 2021 728 3 View

What are the different subclasses in intermediate seeds?

I am currently working on an endemic tree species, that produces mature seeds (moisture content 51%) which shows both vivipary (30% of total harvested seeds from a tree) and dormancy (~40%) of...

20 January 2021 2,670 3 View

How cane capture of Cl, K , Na, in the process of biomass gasification, I want to let these elements enter the solid slag phase but not enter the gas?

I want to fixation Cl, K, Na in gasification slag, which type of catalyst can be used?

13 January 2021 2,145 2 View

What the Scientific reason that cause fast spreading of corona virus through short time?

Despite there are many viruses, bacteria, germs, nanomaterial in atmosphere, but corona virus can be spreading fastly

29 December 2020 3,800 9 View

Estimate / Predict remaining useful life of a bearing without data of previous failure?

Hello, I am trying to write a program in Matlab to estimate the remaining useful life of a bearing without data of a previous failure. Do you think this is possible? I was thinking to use the...

27 November 2020 9,863 3 View

Is it possible to calculate biotic index without specifically knowing the name of family/species of an insect order?

I'm studying the relationship between aquatic insects (as biomonitoring medium) and water quality of river. I only have the data for the number of insects/organisms based on their respective...

23 November 2020 2,792 18 View

Removed Question by author?

This question has been removed by author.

18 November 2020 9,422 1 View

Antibiotics removal efficiency in WWTP and Fexcreta?

I am calculating the PEC for selected antibiotic compounds and am having problems finding the readily-available online data about the Fexcreta value for my target compounds (Since the PEC...

02 November 2020 7,675 6 View

What software/app can I use to generate annotations for localizing hand joints in an RGB image?

I wanted to know if there is any software/app that helps to easily annotate hand joints in an RGB image manually.

28 October 2020 9,693 3 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

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

fatal error

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

fatal error

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

fatal error

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

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

I am interested in medicinal chemistry field, which books are highly recommended to learn from?

I am at the beginner level in drug design and drug discovery, and I am interested to learn more about this field. Which books are highly recommended to start from and gives me all essential...

02 March 2021 8,437 2 View

How Relativistic effects is one reason for lanthanide contraction?

The Lanthanide contraction which is the decrease in ionic radii of the elements in the lanthanide series from atomic number 57, lanthanum, to 71, lutetium, is due to poor shielding of the 4f...

01 March 2021 2,272 4 View