Is there sensor history output for energy ALLKE and ALLPD in abaqus 2020?

is there sensor history output for energy ALLKE and ALLPD in abaqus 2020? is there any one help me

19 November 2020 6,699 2 View

How can I invoking energy output in subroutine such sensor. the sensor can invoke output scalar such V. ?

07 November 2020 4,471 1 View

How can I invoking energy output in subroutine such sensor. the sensor can invoke output scalar such V. ?

07 November 2020 5,141 1 View

What kind of amides does the tendon consist of?

In visible reflectance spectroscopy performed on a bovine tendon, peaks were observed corresponding to tendon amides. But I do not know these peaks are related to what kind of amides.

16 August 2020 4,411 3 View

How to estimate Mean +SD for subgroups in a study in which results are presented for the main population?

Hello, I started working on collecting data for meta-analysis and I faced two-phase study, which in the first experiment the pharmacokinetic profile of 15 patients after drug administration were...

04 April 2020 9,678 3 View

What is my fault for getiing Push over curve for analyzing shear wall with connection ( Link element) on SAP2000?

Hi everyone. I modeled a shear wall with link elements as connections on SAP2000 but I have a problem with getting the correct push over curve for that ( I can't get the target displacement...

28 January 2020 8,261 3 View

How to calculate the life of a pixel if we know the useful life of LED?

For example, if the resolution of one LED is 2073600 pixels per image and the LED has 5 years useful life, how is the average life of each pixel calculated?

10 November 2019 9,565 2 View

What technologies can we expect to see have the biggest impact on maritime in 2030?

I think the autonomous systems, artificial intelligence, virtual reality, big data, cybersecurity and evolution of marine automation will probably be the next year's issues. What do you think?

10 April 2019 7,135 10 View

Mechanical Behavior and motion simulation in ansys maxwell ?

Hi. I want to simulate a motion in Ansys Maxwell, meaning that I want to simulate 2 magnets, one fixed in its place and the other can rotate around its center point ans as you know, the free...

14 January 2019 208 3 View

Which internal standard is suitable for running an organic reaction whose conversion will be analyzed by HPLC?

I want to run an organic reaction and determine its conversion by using HPLC since I am using water as solvent and cannot use GC for conversion determination. Since HPLC cannot detect typical...

01 January 2019 6,428 3 View

Does AMBER or CHARMM force field parameters have coarsed grained side chain parameters?

I need to coarse grain the side chain with a single atom. However, what force field parameters do I have to use. Does AMBER or CHARMM have any parameters and partial charges for coarse-grained...

31 January 2021 7,091 3 View

The lipid bilayer broken down and form micelle within 1ns MD simulation. How to simulate lipid bilayer without breaking bilayer?

To simulate the lipid bilayer (10-10, 25-25 so on) from CHARMM-GUI membrane builder, we used to simulate it at various force field (AMBER14, AMBER03, AMBER14IPQ, AMBER15FB, NOVA, YAMBER) at water...

26 January 2021 7,816 2 View

AMBER tleap solvatebox always undervalues the density, why?

I've been searching for an answer to this question for years, and I'm shocked I haven't found any discussion on any forums. Here is an example to provide more details: I am preparing a 450...

20 January 2021 7,561 2 View

Can i use MM-PBSA to calculate the binding energy of a glycan ligand? ad how?

I have a protein-ligand (glycan) complex and want to do an MM-PBSA analysis using AMBERTOOLS after doing MDS (NAMD). What are the files necessary I should prepare for glycan? Note: I used...

30 December 2020 2,658 2 View

Is there anyone who can help me parameterizing theligand molecule with AMOEBA polarizing force field for using it in AMBER?

I am able to generate the parameter topology files for protein and water box using TINKER but am not able to generate these for my ligand as it is finding no atom types and atom class in TINKER....

17 December 2020 4,309 1 View

Any Molecular Dynamics Tutorial for Membrane-Bound Proteins in Amber?

Hi everyone I'm currently working with a membrane transporter protein to which I need to simulate molecular dynamics (MD). For this, I have inserted my protein in a membrane with CHARMM-GUI and...

16 December 2020 407 1 View

How to Convert GAFF ff in Amber to Input Files in Gromacs?

Hi users, I found the topology files for choline with GAFF ff in literature (coa.ff and colinab3lyp08.prepi.txt) and I would like to convert these file to the input files I can use in Gromacs....

20 October 2020 4,288 3 View

Parameters for magnesium acetate in AMBER MD simulation?

I am trying to use Magnesium acetate [Mg(CH3COO)2] as the salt instead of Sodium chloride [NaCl] in my tleap. Are there any AMBER parameters for acetate ion that I can use?

12 October 2020 931 3 View

What is the alternative for G_MMPBSA for latest versions (After v5.1.~) of GROMACS?

Hello Researchers The support for g_mmpbsa is not extended for the latest versions of gromacs (2020). I have already performed 200ns simulations and wish to perform PBSA calculations. What could...

28 September 2020 9,840 2 View

Does any one can help to calculate viscosity using molecular dynamics. I am doing the NAMD SIMULATION using amber force field?

My system consists of ionic liquids, aliphatic and aromatic hydrocarbons. Any suggestions and any script for calculation of viscosity?

24 September 2020 6,640 1 View