keeping Crystal angles constant

From: Mohan maruthi sena (maruthi.sena_at_gmail.com)
Date: Wed Jan 15 2014 - 12:03:58 CST

Hi all,
          I want to simulate a crystal which has lengths a,b,c and angles
alpha=90 deg, beta=97.4 deg and gamma=90 degrees. When I minimize the
structure , i get a different structure whose alpha=90,beta =90 and
gamma=90. My question is , How can i keep alpha,beta,gamma constant in my
namd simulations. Do I have to mention any keyword in namd configurations
file.

Thanks for a reply in advance,
Mohan

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2015 - 23:20:25 CST