[gmx-users] query:

Yogesh Sharma yogesh.rma13 at gmail.com
Tue Aug 27 12:35:13 CEST 2019


hello guys,
I am new to GROMACS
I am studying membrane transporter protein dynamics in the presence of
complex metal ions like Iron silicates and arsenates. But, Gromacs have
default directory for simpler ions H2O, NaCl, KCl, aclcium etc. how can I
add complex  Ions along with H2O molecules ?and what are important
parameters that i need to keepin mind durring simulation. like specific
modifications of the program?

 *  with  regards*
*Yogesh Sharma*


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