[ moleculetype ] ; molname nrexcl SOL 2 ; [ atoms ] ; nr type resnr residue atom cgnr charge mass 1 OW 1 SOL OW 1 -0.82 15.994 2 HW 1 SOL HW1 1 0.41 1.008 3 HW 1 SOL HW2 1 0.41 1.008 ; [ bonds ] ; i j funct length force.c. 1 2 1 0.1 463700 0.1 463700 1 3 1 0.1 463700 0.1 463700 ; [ angles ] ; i j k funct angle force.c. 2 1 3 1 109.47 383 109.47 383