Is there any online software to develop it from pdb file of a single unit of C6S? I have used Accelrys Draw to develop a model for a single unit of C6S. How do I check if the atoms are oriented in the correct manner?
Using VMD you are able to create 3D structures. You may also be able to create your structure.
http://www.ks.uiuc.edu/Research/vmd/
I'm trying to study the viscoelastic behavior of epoxy through indentation. But for modeling in ABAQUS, I cannot use plastic definition along with viscoelastic parameters. So I was wondering if I...
08 September 2018 8,003 0 View
I used an nvt.mdp file obtained online and modified some parameters. I know that persistence length of C6S is 4 to 6. But I am just trying to simulate a single unit of C6S. So is it the reason why...
02 March 2014 7,219 13 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
Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...
03 March 2021 9,989 2 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
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
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