[ESPResSo-users] Fwd: COMFIXED does not work

[Farnoosh Farahpoor]

---------- Forwarded message ----------
From: Farnoosh Farahpoor <address@hidden>
Date: Thu, Aug 9, 2012 at 1:10 AM
Subject: COMFIXED does not work
To: address@hidden

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