Psfgen output adding a - CH2 on -C-O site? Is this normal? What patch is appropriate for this purpose?

25 March 2024 0 500 Report

While Trying to manipulate end terminal carboxylic group protonation state in PET polymer chain, PSFgen package in VMD adds an extra -CH2 on the deprotonated oxygen. Also the chain is broken in psfgen output. What patch should I use?

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