[lammps-users] would you please help me about Shake command

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Dear Fiends

I want to run decane molecule in lammps with united atom model. Furthermore I want to fix bonds in 1.53 A.

I used fix shake command with m 14 15 and also with b 1. but I encountered with the following error:

shake clusters are connected.

What is you suggestion about this?

Would you please help me?

Regards

Nahid

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The fix shake doc page explains that you can only use SHAKE on
small clusters of atoms with LAMMPS. You can’t SHAKE all
the bonds along the backbone of a long polymer, like decane.

Steve

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