Lone pair disconnected after minimization

From: Rabiul Gazi (rabiulgazi876_at_gmail.com)
Date: Mon Mar 08 2021 - 03:03:44 CST

Dear Experts,
I am dealing with a chlorobenzene derivative molecules water system. The
system contains 10 molecules. After energy minimization it has been
observed that lone pairs of chlorine atoms disconnected for few
chlorobenzene derivative molecules.

I am using NAMD2.14 for the water system . The psf files were built using
psfgen 2.0.

Please help me in this regard.

Thank you.

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