[gmx-users] "Simulation" of a crystal

auryn_valemig at libero.it auryn_valemig at libero.it
Mon Oct 10 09:22:28 CEST 2011

Hi to everybody!!!I'd like to know if it is possible to "simulate" with gromacs a crystal lattice where the atoms are just kept "almost fixed" in their crystallographic structure positions and they are allowed just to vibrate around this positions. This is not a real MD simulation but I need it just to calculated radial distrubution function among the atoms in the crystal. Tahnk you in advance valentina
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