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[ESPResSo-users] Using two different Lennard-Jones potentials for same p

From: Mohammadreza Niknam Hamidabad
Subject: [ESPResSo-users] Using two different Lennard-Jones potentials for same particles
Date: Tue, 27 Feb 2018 01:36:50 +0330

Hello all,

I'm working on behavior of some proteins and I need to use two different LJ potentials for the same types. some thing like this:

system.non_bonded_inter[1, 2].lennard_jones.set_params(
    epsilon=ep1, sigma=1.0,
    cutoff=1.1225, shift="auto", offset=0.0, min=0.0)

system.non_bonded_inter[1, 2].lennard_jones.set_params(
    epsilon=ep2, sigma=1.0,
    cutoff=2.5, shift="auto", offset=0.0, min=1.1225)

Is it possible? Does the second potential overwrite the first one? If not, except tabulated interaction, you guys have any suggestion?

Also I want to compile newer development version, but every time I encounter some errors about fftw3 and recompile with -fPIC.

Do you know how can I solve it? or how can I turn off and disable fftw3? (I don't need any algorithm for electrostatics or p3m) 
I couldn't find options for make command in installation process to disable it:
mkdir build
cd build
cmake ..

Best regards,

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