My system is a very small collection of 5 of solvated polymer chains.
While using NVT/NPT fix, when i try to run it for first 500-1000 steps, the
temperature(i want near 300 K) and pressure(i want near 5-10 atm) oscillate
wildly in the later stage.
My initial velocities could be zero or scaled to 300 K temperature.
I tried changing
1.Tstart and Tstop
2.Pstart and Pstop
and once i got okay stuff for a particular combination, but i would like to have
a word of advice if possible on above 4 factors
Also at the end of the run it seems to cross no of steps once or twice i get a
***glibc detected***double free or corruption(out):ox09...Aborted
Could it be because of wild oscillations of pressure or temperature?
Thanks in advance