[gmx-users] pH studies

parthiban at ncbs.res.in parthiban at ncbs.res.in
Sun Oct 11 16:59:19 CEST 2009


can any one could help me in, How to include the pH for doing MD studies.
My interest is to include the pH at the initial time duration and to
change the pH from 4 to 7 during the course of simulation.

is there any possibility in performing such work in gromacs.

Thanks in advance

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