How correctly import molecule data to LAMMPS format?

Dear Lammps/MD experts, I am going to model an epoxy resine structure with Lammps. The initial structure of epoxy resin (Epon resin 862) is available online in for example in CDXML format (as...

09 November 2020 1,080 3 View

How to preform a plain quantum calculations ?

Dear QM experts, I am going to perform a simple QM calculation from my resulted MD structures in order to analysis their photoelectric properties. But unfortunately I am new in the area and I...

06 December 2018 3,837 4 View

Is it possible that a microbe stimulates plant growth (PGP), but produces an abnormal protein in the plant?

Is it possible that a microbe (such as a bacterium) stimulates plant growth, but in proteomics studies it turns out that this bacterium produces an abnormal protein in the plant? For example,...

23 September 2018 1,670 3 View

What strategies and techniques do politicians use in order to save or protect their face in political interviews?

Many researchers have studied political interviews to investigate what strategies politicians employ in order to present a positive face. Bull and Mayer (1993) examined how politicians equivocate...

18 March 2018 1,657 3 View

How do politicians save face in political interviews?

07 February 2017 4,048 8 View

COVID-19, nervous system and the brain...

Considering the COVID-19 pandemic and the widespread effect of the infection on different organs and systems, new evidence is adding up to the potential influence of COVID-19 effects on emergence...

01 January 1970 2,830 9 View

Is gender-oriented biological or medical research equal to a biased study?

Most of biological and medical investigations choose to involve either male or female (rarely both) subjects to study. To merely include subjects from one gender (particularly males in rodent...

01 January 1970 837 8 View

New hypothesis for Alzheimer's disease etiology: Long-lived proteins and Lysosomal failure

For decades the AD theory of accumulation of A beta plaques and phosphorylated tau tangles has dominated the research on AD. Notwithstanding the tremendous amount of exciting studies in the field,...

01 January 1970 4,200 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

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

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

I need to image mesoporous silica nanoparticles that are in ~100 nm size and do high resolution TEM to look at mesopores. what grids should I use?

Need to image mesoporous silica nanoparticles using the TEM. Also, need high resolution TEM images to see the mesoporous structure. Kindly suggest what kind of grids to use. Thanks, Shatadru

02 March 2021 1,787 2 View

Arena simulation - how do i model the following model in ARENA (see description) (new to ARENA)?

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

Why are the velocities so high in my Boussinesq approximation Fluent simulation?

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