[gmx-users] nonbonded/bonded interactions and the pressure tensor

West, Ana awest5 at emory.edu
Wed Nov 2 20:10:48 CET 2011

Dear Gromacs Users,

I am simulating a system where monomers interact via both bonded and nonbonded potentials. My data analysis includes computing elements of the pressure tensor.  Is there a way to distinguish contributions of the non-bonded forces from those of the bonded forces when calculating the pressure tensor elements?

Thank you,


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