Dear Votca I calculate non-bonded potential via ibi with simple pressure correction. I am checking the pressure in each step directory. In my system, five bead types were used from A to E. The pressure is fluctuating between 100 to -100 in the A-A.pressure file. For example, in the step_010, the pressure is about 103, and in the step_011, the pressure is -130.
Initially, the pressure keep decreased from 1300 to 200. Then, the pressure keep fluctuating between those values. Do I need to change (tune) scaling factor, or any other solution? Thank you very much for your help. Best regards, Changwoon Jang, -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
