Running a GROMACS simulation without water in the system.

01 January 1970 0 2K Report

Hi, I want to run a simulation if an enzyme in GROMACS but without the presence o water in the system. Is there any way I can do that? I want to show the activity of my enzyme without the presence of water in the environment. Which tutorial should I follow from the official website or is there any other method to do so?

http://www.mdtutorials.com/gmx/

Thanks

Badges
Science topic

More Mursaleen Baba's questions See All

Which influence of the harvester speed on the collected energy?

Suppose an energy harvester moving in parallel near to transfer power lines (to profit from the electromagnetic field induced around those lines). In such a case, what is the expected influence of...

12 August 2020 745 3 View

What statistical technique shall I follow?

Dear researchers, I want to compare three different means of the same group. For example, I want to know which school subject my students (independent variable)are good at depending on their...

02 May 2020 724 23 View

Image watermarking : How to implement (RIDWT) Redistributed invariant discrete wavelet transform?

I am wondering how to implement RIDWT in Matlab , i found several related papers implementing RIDWT but their description is incomplete . I have tried to convert their equations into Matlab code...

04 March 2020 6,218 2 View

Hye, i am doing research on optimal placemen of PMU using PSO alg. can someone tell me how to find PMU in matlab for simulation and how to use PSO?

i am in trouble of finding PMU device in matlab to implement in simulation for different Bus-system.Although, there is a difficulty of using PSO algorithm for the optimal placement of PMU. it...

19 March 2019 5,215 6 View

Can somebody please tell me what's wrong with the last three lines of code below? am trying to extract data from .nc file using matlab?

%% Open netcdf ncid = netcdf.open('C:\Users\Owner\Desktop\t\tasmax_AFR-44_MOHC-HadGEM2-ES_historical_r1i1p1_SMHI-RCA4_v1_day_19510101-19551230.nc','NC_NOWRITE'); %% Get all information about the...

17 March 2018 6,784 6 View

How to hook up a 3 electrode electrochemical cell to EIS?

Hello everyone, I am very new to electrochemistry, I am trying to run EIS on an 3 electrode cell, where does each electrode go in the EIS terminals? EIS has 4 wires coming out HI and LO potentian,...

19 April 2016 7,677 4 View

Which type of electromagnetic waves can penetrate metals ?

which type of electromagnetic waves can penetrate metals?

20 March 2016 5,960 11 View

What is the best calcination temperature for carbonated or silicated substituted hydroxyapatite?

The carbonated and silicated substituted HA powders were synthesised by wet precipitation method. The powders were dried at 90 degree C overnight. Does anyone know what the best calcination...

22 January 2014 4,389 2 View

Does anyone know what is the resorption rate of the HA implants?

How long does HA take to completely resorb after implantation in general?

11 October 2013 2,342 1 View

What do you think about the peer-review evaluation process; is it always fair, or it could be a temperamental process?

The peer-review, which is the dominant method to evaluate scientific research papers doesn't represent, in my opinion, a fair system. Some reviewers don't read the paper itself, but they...

01 January 1970 6,672 3 View

Dear all, I was wondering if anyone knows whether MGLtools and Autodock can run on Mac OS?

I have tried to download the 64-bit version of MGLtools however, as many times as I have downloaded and uninstall the programs, an error arises that the app needs to be updated. Thank you.

03 March 2021 5,997 2 View

I got 02 moderator values defining Johnson-Neyman significance regions. Is it an error?

Hi everyone, I am conducting research for my Master's thesis. I am using PROCESS by Johnson-Neyman to analyze my Moderator model. I test the relationship between Public Service Motivation and...

03 March 2021 2,350 2 View

Do I need to do linear regression before running mediation analysis using PROCESS MACRO by Hayes ?

I just wanted to check if I need to run a linear regression separately if I am using PROCESS MACRO to run mediation analysis. Thank you.

02 March 2021 4,359 3 View

Do I need to strip the PVDF membrane before staining it with colloidal gold?

Dear Colleagues, After running Western blot on PVDF membrane and detection using ECL, I would like to stain my PVDF with colloidal gold to be able to allign the ECL image with total proteins on...

02 March 2021 7,829 3 View

PACYC PCR not working after several attempts. Would anyone have any suggestions?

So, I have been trying to run a pACYC PCR which will be used later on for a Gibson Assembly. However the PCR is not working. I have already tried gradient PCR and changing extension time; however...

02 March 2021 1,146 2 View

Do you know any MR image dataset?

I would like to research on MR images (0.5T and 3T). Can you please suggest some websites that I can download dataset including both 0.5T and 3T MR images? Thank you.

02 March 2021 7,735 3 View

Do you know good and user-friendly programs to measure plant quantitative traits?

For my research i will need to measure plant quantitative traits (especially leaves area and roots length, but would be nice to add some more information). I recently discovered...

01 March 2021 5,035 2 View

What SPSS analysis should I run with one IV (with two levels) and two DVs?

Hi, I am trying to figure out which test would be most appropriate to run for the following question: Is there a difference in task blood pressure between smokers and non-smokers? There are two...

01 March 2021 8,235 2 View

OpenBCI eeg--has anyone used them?

I'm looking to try out an off-the-shelf EEG set for some exploratory work. Curious if anyone has used the OpenBCI, and how much set-up work is required. I've heard they are more difficult to get...

01 March 2021 4,128 3 View

Is there any expert in Smart PLS who can help me?

Dear colleagues, I have a manuscript that needs an expert in smart PLS to run the analysis, Is there anyone expert and ready to help me, please?

01 March 2021 8,212 3 View