Difference between VMD plugin and Gromacs in adding ions ?

07 July 2018 0 7K Report

Dear All,

According to VMD, two plug-in called Autoionize and Cionize are able to neutralize a normal system and highly charged system,respectively. In Gromacs we have only genion for both. Can anyone explain more about genion and its difference with VMD plug-ins please. Thank you very much.

Bests

Farzaneh

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