From: Adupa Vasista (adupavasista_at_gmail.com)
Date: Sun May 26 2019 - 07:07:39 CDT
I am doing a normal water box equilibration simulation (NPT).
I used packmol to create the box(60*60*60) and origin as (30,30,30).
When i increase the cell basis vector its running upto some steps and again
the error is popping.
Please let me know the root cause of this problem.I know that during
minimization box will be shrinking.What does that do with this error. I am
Sharing the Conf file.
cellBasisVector1 65.0 0.0 0.0
cellBasisVector2 0.0 65.0 0.0
cellBasisVector3 0.0 0 65.0
cellOrigin 30 30 30
Thank You.
-- *A.VasistaM.Tech,Department Of Chemical Engineering,* *IIT Guwahati.*
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