[gmx-developers] inner loop and lennard-jones
DANIELE at biop.ox.ac.uk
Wed Apr 30 19:37:26 CEST 2003
I need to hack the gromacs code and modify the lennard-jones potential. I
have added print statements in each inner loop to see which of them was
involved in my simulation and to check the value of relevant variables.
In particular, it has turned out that the inner loop involved is the
inl3300. However, only the 1-4 interactions are printed out and there is
no way to find where and when the other non-bonded interactions are
calculated. Can anybody be of any help?
Thanks a lot
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