I am working with molecular simulation and modelling, and searching some softwares.
The most used software are Materials Studio and LAMMPS for Moleclar for Molecular Dynamics.
Is there a site/document that talks about it?
Hi Bianca,
VMD is also a good option for construction of initial topologies and analysis of MD simulation results. I have not used it much, particularly I prefer to use tools in the command mode of linux, but there is much literature about it.
https://www.ks.uiuc.edu/Research/vmd/
Hello, my name is Bianca and as a project for university I have assigned the manufacturing of antimicrobial toothpaste- quality control department. I tried to research online but I could not find...
17 January 2021 918 3 View
I am currently working on my undergraduate thesis project and we are trying to compare the AHP method with the AHP-TOPSIS method. I have already found the format for an AHP survey questionnaire,...
03 January 2021 7,213 3 View
03 February 2020 9,215 2 View
Hello, I am working with protein-based soft hydrogels, and I want to characterize the compression behaviour of my material in DMA. However, I have yet to find an adequate comparison of the best...
03 October 2019 2,559 2 View
Hello, I am simulating in Ls-Dyna a drum seaming process that consists of closing a drum, ie the lid with the body using two additional tools (figure 1). The tools are set as rigid shells and the...
26 August 2019 4,808 1 View
I found a possible new species of bacteria. For the ITS DNA sequence, similarity to other bacteria of the genus ranges from 80 to 91%. Making a Neighboor-Joining tree with the ITS sequence, my...
18 August 2019 8,893 2 View
I want to use ATR FTIR to accompany the changes in secondary structure of a protein hydrogel by means of deconvoluting the Amide I peak. I gelled my samples and pressed a small amount between two...
17 July 2019 3,730 3 View
Dear all, I would like to write a methodological paper. Notably, I would like to explain how a particular methodology can be used to study problems related to a specific field of studies (i.e....
21 October 2018 2,254 22 View
Hi everyone, I might be approaching the field of socio-ecological systems to write the final paper of my PhD. I would like to get an idea of a super MUST-READ literature to get an overview of the...
04 April 2018 7,009 26 View
The guidelines states that it is suitable for serum, plasma and cell cultured lysates. Theoretically can you use animal tissue and make a tissue lysate?
21 September 2017 8,408 2 View
How to calculate the RMSD values for a MD simulation using MOE?
07 August 2021 0 0 View
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
effect of double bond on the flexibility of polymers
07 April 2021 0 0 View
I am writing to request some information for making polymer color flakes. I would appreciate the help.
17 March 2021 0 0 View
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 looking for ferro calcium production process
03 March 2021 1,755 4 View