Bond broken in fene potential?

16 April 2024 0 3K Report

i simulating a single chain polymer with 10 particle with fene and lj but if i increase the no of particle my bonds are being broken . im using parameters as below

20 50000.0 0.1 1000.0 1.0 0.0025

&npc &tf &si, &teq, &te, &dt

npc - no of particle

tf - totol simulation time

si - sampling interval

te - temp

dt - integration step

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