any tutorial to broke hydrogen bonds in a protein, creating a protein to simulate?
Well, seems easy, I got a molecule with gromos parameters but the ATB site state the use of new force field, this new forcefield defined new atom label like CPos, when i started to fill with ions...
31 December 2018 2,140 0 View
Hi, i have already get some molecules in vacuum, according to some references i found trough the internet: pbc=no rlist =0 nstlist =0=rcoulomb=rvdw=rlist nstype angular and comm_mode =...
02 March 2018 6,413 0 View
I want to use a software to calculate the fractal dimension, anyone knows some free software or script ?
09 October 2014 8,919 2 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
I am on the lookout for the Enhanced Yellow Fluorescent Protein (Aequorea victoria) DNA sequence. Does anyone know where I can find it? Thank you in advance
03 March 2021 3,568 1 View
I'm a graduate student who works with an anaerobe, so I often work in an anaerobic chamber. I've been working on an assay that involves the steady-state of the quinone/ quinol pool. Anoxic...
03 March 2021 2,971 1 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
(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...
02 March 2021 3,309 2 View
Actually, I am running cfd simulation for a heat exchanger which has two fluids one hot and other one is cold fluid. there is a solid domain between them, which I removed and instead I have used...
01 March 2021 9,537 2 View
