[gmx-users] choosing time period for the simulation analyses

Sankaran SV . 119013033 at sastra.ac.in
Fri Sep 28 06:18:48 CEST 2018

Hi all,

I am working on the Hydration dynamics studies on Aquaporin 0  which is
membrane protein, Downloaded from the MemProt database and performed
production MD for a time scale of 100ns. I am facing difficulty in
identifying and eliminating the time period for which the system has
undergone equillibration.  What is the constrain should I use, are there
any references? As for now iam referring the KALP -5 in DPPC .

                                                    Thank you,

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