Re: [ESPResSo] mass in espresso

[Axel Arnold]

On Thursday 10 June 2010, Mikheil Azatov wrote:
> Hi,
> 
> Looking through the manual of espresso there is no way to set up the mass
> of the monomer in the polymers. I need to model a system that has two
> types of polymers where each of them have different mass per unit. Is
> there a way to set up the mass or I have to manually set up one of the
> polymers as a bunch of particles ?

The polymer command indeed does not set the mass of the monomers. However, it 
is probably easier to still use the polymer command, and afterwards loop over 
all the monomers and set their mass. This is for example also necessary if you 
want some complex charge structure on the polymer, oder if you want to set up 
copolymers.

Axel

-- 

Axel Arnold
Martha-Schmidtmann-Str. 7       Phone:  +49-160-9166-7532
D-70374 Stuttgart               E-Mail: address@hidden