The attached input file causes the program to use the WLC mode, due to having enough beads that the rigidity is locally very high. Although the chain seems to be initialized well by the initial MC search, all outputs after t0 are NaN.
The problem appears with NSTEP == 0, so it emerges purely from the Brownian dynamics code, on the branch where SIMTYPE = 1.
input.txt
The attached input file causes the program to use the WLC mode, due to having enough beads that the rigidity is locally very high. Although the chain seems to be initialized well by the initial MC search, all outputs after t0 are
NaN.The problem appears with
NSTEP == 0, so it emerges purely from the Brownian dynamics code, on the branch whereSIMTYPE = 1.input.txt