Dear axel:
Thank you for your reply. However, I want to run a simulation with this N2 model, NPT ensemble. The fix rigid command does not work. Is there any method to resolve this problem?
Best regards.
Dear axel:
Thank you for your reply. However, I want to run a simulation with this N2 model, NPT ensemble. The fix rigid command does not work. Is there any method to resolve this problem?
Best regards.
Dear axel:
Thank you for your reply. However, I want to run a simulation with this
N2 model, NPT ensemble. The fix rigid command does not work. Is there any
method to resolve this problem?
what makes you believe it not work?
you *have* to use a rigid integrator. unless you write a new version
of fix shake that can handle dummy atoms or write a pair style in a
similar fashion to the tip4p pair styles, there is no alternative.
have another look at the docs, please and see your mistake:
http://lammps.sandia.gov/doc/fix_rigid.html