[gmx-users] eliminating forces on certain direction

吴鹏 gerogewu8 at gmail.com
Mon Oct 12 18:20:12 CEST 2009


Hi GMX users,

I am doing a modified simulation which requires to eliminate an interaction
at certain direction while remain the interaction at other directions. Since
the itp files contain the C6 C12 of the interaction, it is impossible to
only remain the interaction a one direction while eliminating the
interaction at other directions. I am thinking of hacking the code while I
have no idea of how to do it. Any suggestions on that? Thanks in advance.

Peng Wu
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