; cyclohexane_GMX.top created by acpype (Rev: 389) on Sat Sep 21 11:00:57 2013 ;[ defaults ] ; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ ;1 2 yes 0.5 0.8333 #include "amber99sb.ff/forcefield.itp" ; Include cyclohexane_GMX.itp topology #include "cyclohexane_GMX.itp" #include "spc.itp" [ system ] cyclohexane in water [ molecules ] ; Compound nmols cyclohexane 255 SOL 716