[gmx-users] uniform dielectric constant

Mikael Lund kemikael at gmail.com
Wed Jul 18 19:45:18 CEST 2007

Reading the mailing list and the wiki as well, I see that GROMACS has  
little support for implicit solvent. However, I'm interested in  
simulating charged polymers (small spheres connected with springs) in  
an aqueos salt solution (more spheres). Assuming no dielectric  
boundaries -- i.e. a uniform dielectric continuum -- I thought of  
setting epsilon_r to 80. Clearly the dynamics will be wrong but I'm  
interested in static properties only. Do you see any pitfalls with  
this approach?


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