Re: [ESPResSo-users] Rigid Bond

[Dudo]

Hi Amir,

I tried to work with the rigid bond potential but it really crashes a lot.

A better way is to set a very strong bond potential, with force constant 100-1000.

But this would also reduce your time step.

Kind regards,

Dusan

On Sun, Jan 21, 2018 at 10:43 PM, Amir Khosravani <address@hidden> wrote:

Dear ESPResSo users,

I want to simulate a polymer with nearly constant length. The polymer experiences some large forces so I need almost rigid bonds to simulate it. The first idea is using a harmonic bond with large stiffness, and the second is using a combination of Weeks-Chandler-Andersen potential and FENE with large stiffness. But when I was reading the user guide documentation I founded there is a rigid bond potential in Espresso. My question is about 3 parameters which this potential need. Can you tell me a little bit about this potential, parameters, and efficiency of that? Is this potential faster than those two initial ideas? Because the speed of simulation is important in my work. It would be my pleasure if you have any other suggestion?

Best regards,

Amir Khosravanizadeh   

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