[gmx-users] TFE-water simulation

Archana Sonawani-Jagtap ask.archana at gmail.com
Wed Oct 23 13:20:23 CEST 2013

Hi all,

I have never performed TFE-water simulation therfore I want to know after
inserting the peptide in the pre-equilibrated TFE-water mixture, do we need
to adjust the number of TFE or water molecules ?

or should I directly add ions to this system and run the production run.

Any suggestion is welcome.

Thank you.
Archana Sonawani-Jagtap
Senior Research Fellow,
Biomedical Informatics Centre,
Mumbai, India.

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