Dear Espresso developers
I am trying to use the "comfixed" interaction.
COMFIXED feature is compiled in to the espresso package.
code_info
ESPResSo-3.1.0-64-gaf5c2bb-dirty-git
{ Compilation status { FFTW } { CUDA } { CONSTRAINTS } { LB_GPU } { COMFIXED } { PARTIAL_PERIODIC } { LENNARD_JONES } { EXTERNAL_FORCES } { ELECTROSTATICS } { LB_BOUNDARIES_GPU } }
I use command "inter 0 0 comfixed 1". Type 0 are the monomers of my polymer. It has counterions of type 1.
But during the simulation my polymer moves around and the COM is not fixed.
Should I do anything else to use this command properly?
With best regards
Thank you in advance
Farnoush