Charmm/GROMACS Residue 'ZN' not found in residue topology database?

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

Does anyone have a copy of the revised Self-Perception Profile Questionnaire?

11 June 2017 2,969 3 View

How to implement Exhaustive Search Method for Multi-objective Optimization?

25 May 2016 6,101 4 View

Is there any research linking AIDA and Social Media?

I am currently researching on the impact of the social media on consumers using the AIDA funnel. I have looked for published research, but I have not been able to find any research relevant to my...

24 September 2014 5,480 3 View

How to define and get results (stresses) for certain points of a model in abaqus, using python? When the size of the model changes?

I want to do a parameter study of a aixsymmetric cylinder in Abaqus. I want to create several jobs where I get the stresses for 3 different points in my model. These points are defined. I wrote a...

01 March 2021 10,078 1 View

LOAD DISPLACEMENT CURVES Stiffness increasing in ANSYS non linear analysis. HOW CAN I CORRECT IT?

Hi. I am doing non linear FE analysis using a new material beam under flexural 2 point loading using ANSYS. I have defined a bilinear material model. The solution has converged. In results I am...

01 March 2021 9,911 3 View

How relevant is Mini slump cone?

for all the rheology researchers, my question is, how relevant is a mini slump cone (smaller than a standard 50 cent rheometer). currently based on testing, the thickness of slumped material is...

26 February 2021 3,668 1 View

Stress/strain tensors decomposition ???

25 February 2021 6,760 1 View

How to reduce residual stresses in MD simulation?

I am working on a preparation of representative polymeric structures of some popular polymers, such as polyimide or PTFE for MD simulation, during which a single nitrogen or oxygen atom will be...

24 February 2021 8,105 3 View

Suggestions for occupational stress surveys?

I am currently writing a masters thesis on reasons for occupational stress in the early childhood classroom, and want to include a short survey assessing participants work-related stress levels. I...

24 February 2021 8,678 2 View

The most suitable method to calculate the stress intensity factor in the presence of contact between the crack lips?

I'm trying to study cracked structures under a compressive load taking into account contact between the crack lips. I would like to know if the method of extrapolation by displacement remains...

21 February 2021 8,694 4 View

How COVID-19 has affected mental health?

The pandemic has led to depression and anxiety and its negative effects shouldn't be ignored. However, it has also led some people to become more resilient! What do you think? Thank you.

21 February 2021 4,733 19 View

What are your alternative data collection methods during the pandemic? What are the pros and cons?

Dear colleagues We are exploring possible data collection methods for environment and behavior research in the context of architectural environments. Have you conducted any Post Occupancy...

16 February 2021 2,575 4 View

How to show in a scientific paper format the post-hoc test of 4 variables involved, when 3 by 3 variables are significant?

In a study involving 4 variables (species(2x), temperature(2x), nutrients(2x) and light(3x)), 3 by 3 variables, for example, "species", "temperature" and "nutrients" are significant. I end up with...

15 February 2021 8,018 2 View