I am beginner with gromacs I want to simulate a system of 100 Argon atom with Lennard Jones force field but I do not know how to make .itp file I have made this lines but it made error. could anybody hep me?
[ atomtypes ] ;name at.num mass charge ptype sigma epsilon AR 18 39.948 0.0 A 2.54129e-01 1.58992e-01 [ nonbond_params ] ; i j func c6 c12 ; Encad uses strict combination rules, so no need for explicit parameters [ pairtypes ] ; i j func cs6 cs12 ; 1,4 interactions are calculated automatically, using fudge factors. ; (In the current version, the factors are 0.0, meaning no 1,4 interactions).
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