Dear Gromacs Users,
I'm going to simulate solution-mediated polymorphic transformation from b to a-Glycine. From literature, I came to know that constant stress ensemble can be used to simulate such transformation. I'm interested to know whether I can use NPT ensemble with PR pressure coupling for accounting the changes in size and angle for polymorphic transformation or is there any way to account the changes in angle. Guide me with your valuable suggestions. Thanks in advance Shankari Hariharan
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