Reg: deformation of water box during equilibration

From: Akshay Bhatnagar (akshaybhatnagar2790_at_gmail.com)
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
errors?

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

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