Hello
I want to MD simulation on interleukin 16 molecule.
Should I attach ubiquitin to this molecule for MD simulation?.
Thank you very much.
I made a model of a protein and want to study the effect of a mutation on a model structure via molecular dynamics simulation. I have two option: 1- produce mutation on native model structure and...
09 October 2019 4,669 9 View
Hello Dear friends I want to dock a ligand to a protein via autodock4. When I run Autodock4 , it says: buffer overflow detected ***: autodock4 terminated. The pdbq of my ligand has 70 atom and...
01 February 2018 5,297 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
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
Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...
02 March 2021 4,569 4 View