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