[gmx-users] To locate epot[i]'s inisde the program

Pradip Kumar Biswas p.biswas at csuohio.edu
Fri Nov 5 20:07:21 CET 2004


I am new to Gromacs. I was trying to figure out the individual potential
energy terms inside the program. At the end of the function force() in 
force.c, where
the program sums over epot[i], i=0; i<F_EPOT, I printed and find the 
and LJ terms are zero. I tried with glycine and olso with water dimer. 
Can anybody
help me to figure out where should I go to get the Coulomb and LJ 
potentials inside
the code?
[with g_energy_d, I get all of them; but I wanted to get them inside 
the program].


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