Hi everyone,

       I first performed a 600 ps run at 600 K to equilibrate the structures of the models generated by the Amorphous Builder. Then production MD runs were carried out

at each 400K, 50 ps NVT ensemble dynamics was used to further relax the polymer structure. Finally,150 ps NPT ensemble dynamics was carried out on each

cell. Total simulation time was 200 ps at each temperature, and the later 150 ps were the sample time used to collect the statistics.The specific volume of the simulation

cell did not become stable by the end of 150 ps after an initial of 50 ps dynamics. I find that the temperature change from 370K to 410K.What can I do make

specific volume of the simulation  cell  become stable .Thanks.