Dear gromacs users,
A very happy new year to all of you. I an trying to simulate LiBr and
LiNO3. What will be the value of nrexcl in OPLS itp file for respective
cation and anions? I found nrexcl=1 for atomic ions in ions.itp file in
gromacs. Again in a tutorial of simulation of Choline Chloride + urea, they
have used nrecxl=3 for chloride ion. Here, I am confused about this. Any
kind of help will be highly appreciated.
Thanks and regards,
Dhrubajyoti Maji
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