; ADD THESE ATOMTYPES TO: ffoplsaanb.itp opls_4030 N3 7 14.007 -0.500 A 0.32500 0.711280 ; ULMSCHNEIDER - OPLS-UA 103 mod. Q opls_4031 C3 6 15.024 0.400 A 0.39600 0.606680 ; ULMSCHNEIDER - OPLS-UA 107 mod. Q opls_4032 C2 6 14.016 0.300 A 0.39060 0.493712 ; ULMSCHNEIDER - Essex et al. 1994 (mod. OPLS-UA 71) mod. Q opls_4000 P 15 30.970 1.600 A 0.37400 0.836800 ; ULMSCHNEIDER - OPLS-UA 254 mod. Q opls_4001 O2 8 15.999 -0.800 A 0.29600 0.878640 ; ULMSCHNEIDER - OPLS-UA 255 mod. Q opls_4002 OS 8 15.999 -0.750 A 0.30000 0.711280 ; ULMSCHNEIDER - OPLS-UA 256 mod. Q opls_4003 C3 6 15.024 0.200 A 0.38000 0.711280 ; ULMSCHNEIDER - OPLS-UA 257 opls_4004 C2 6 14.016 0.250 A 0.38000 0.493712 ; ULMSCHNEIDER - Essex et al. 1994 (mod. OPLS-UA 257) mod. Q opls_4010 C 6 12.000 0.800 A 0.37500 0.439320 ; ULMSCHNEIDER - OPLS-UA 58 (ester C-) mod. Q opls_4011 O 8 15.999 -0.600 A 0.29600 0.878640 ; ULMSCHNEIDER - OPLS-UA 59 (ester O=) mod. Q opls_4012 CH 6 13.008 0.250 A 0.38000 0.334720 ; ULMSCHNEIDER - OPLS-UA 60 (ester CH) opls_4013 C2 6 14.016 0.250 A 0.38000 0.493712 ; ULMSCHNEIDER - OPLS-UA 61 (ester C2) mod. Q opls_4015 OS 8 15.999 -0.500 A 0.30000 0.711280 ; ULMSCHNEIDER - OPLS-UA 62 (ester -OS-) opls_4018 C2 6 14.016 0.050 A 0.39600 0.380744 ; ULMSCHNEIDER - Berger et al. 1997 (ester -C2-) opls_4100 C3 6 15.024 0.000 A 0.39600 0.569024 ; ULMSCHNEIDER - Berger et al. 1997 opls_4101 C2 6 14.016 0.000 A 0.39600 0.380744 ; ULMSCHNEIDER - Berger et al. 1997 opls_4110 C3 6 15.024 0.000 A 0.39550 0.644336 ; ULMSCHNEIDER - New UA pentadecane CH3 opls_4111 C2 6 14.016 0.000 A 0.39550 0.430952 ; ULMSCHNEIDER - New UA pentadecane CH2 opls_4121 C1 6 13.008 0.000 A 0.38000 0.481160 ; ULMSCHNEIDER - OPLS-UA 74 (CH - Alkene) 2371