?? wrote:
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.
Start by describing your actual objective in general terms, and not
pre-supposing the form of the solution (i.e. manually changing certain
interactions). The above sounds like a recipe for disaster, even if you
could make it work :-)
Mark
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