Reg: deformation of water box during equilibration

From: Akshay Bhatnagar (
Date: Fri Jun 06 2014 - 11:35:34 CDT

Hello everyone

I wanted to simulate cystine in a 30 A box but after the equilibration the
water box shape is deformed. I am not understanding why it happened as i
have given PME boundaries. can anyone suggest me the possible sources of

Please help!!
With Regards
Akshay Bhatnagar
PhD Student
BITS Pilani Hyderabad Campus

This archive was generated by hypermail 2.1.6 : Wed Dec 31 2014 - 23:22:27 CST