tolerance 2.5 filetype pdb output system_init.pdb structure ../air/air_gaff.pdb number 100 inside cube -10.613990804113833 -10.613990804113833 -10.613990804113833 21.227981608227665 resnumbers 3 end structure structure ../urea/URA_gaff.pdb number 9 inside cube -10.613990804113833 -10.613990804113833 -10.613990804113833 21.227981608227665 resnumbers 3 end structure structure ../amoniak/AMK_gaff.pdb number 15 inside cube -10.613990804113833 -10.613990804113833 -10.613990804113833 21.227981608227665 resnumbers 3 end structure