Re: [ESPResSo-users] Doubt regarding self propulsion and diamond lattice

[Peter Košovan]

Hi Nairhita,

regarding part 2 of your question: I anticipate that by "diamond lattice" you mean the diamond command that creates a polymer network. There is no upper limit on the number of particles, except for the obvious limit of the available memory of your computer. If your polymer breaks, then it is for a different reason. I recommend to carefully check the positions and interactions of your particles immediately after you set it up.

With best regards,

peter

On Thu, Oct 27, 2016 at 7:17 AM, Nairhita Samanta <address@hidden> wrote:

Hi all!

I have few questions regarding the self propulsion and diamond lattice feature in Espresso.

1. If I want the particle to be self propelled, do I need to specify any quaternion? I have noticed even without mentioning any quaternion, the particle moves fast. In that case what actually happens? Is there any rotation involved in propulsion then?

2. In case one uses a Diamond lattice, then can there be more than one lattice in the system? And Is there any upper limit on the number of monomers can be used per chain as the polymer breaks if the chain has say around 50/60 monomers.

Thanking you.

With regards,

Nairhita

--

Dr. Peter Košovan

Department of Physical and Macromolecular Chemistry

Faculty of Science, Charles University in Prague, Czech Republic

Katedra fyzikální a makromolekulární chemie

Přírodovědecká fakulta Univerzity Karlovy v Praze

www.natur.cuni.cz/chemistry/fyzchem/
Tel. +420221951290

Fax +420224919752