Hello, everyone.
Now, I'm carrying out polymer modeling by MS 4.31. It follows a routine step. For example, thousands of bars NPT -> 600K NVT -> 300K NVT -> 1 bar NPT -> 1st step and repeat.
Could I make btcl script for this routine?
Thank you for reading..
Now, I'm carrying out polymer modeling by MS 4.31. It follows a routine step. For example, thousands of bars NPT -> 600K NVT -> 300K NVT -> 1 bar NPT -> 1st step and repeat.
Could I make btcl script for this routine?
Thank you for reading..