PARM94 for DNA, RNA and prot. modified for amidates. Use 1-4 scee 1.2. Dec,97 MASS NS 14.01 sp3 N in amidates BOND CT-NS 320.0 1.440 phosphoramidates H -NS 434.0 1.000 phosphoramidates (ab inito opt) NS-P 230.0 1.710 PHOSPHORAMIDATE ANGLE CT-CT-NS 50.0 109.50 phosphoramidates H1-CT-NS 50.0 109.50 phosphoramidates CT-NS-H 35.0 109.50 phosphoramidates CT-NS-P 100.0 118.00 phosphoramidates (ab initio geom. data) H -NS-P 40.0 109.50 phosphoramidates NS-P -OS 45.0 100.50 phosphoramidates (ab initio geom. data) O2-P -NS 100.0 108.23 phosphoramidates (ab initio geom. data) H1-CT-N3 50.0 109.50 model mol with NH3+ H -NS-H 35.0 109.50 model mol with NH2 DIHEDRAL X -NS-P -X 6 0.75 0.0 3. phosphoramidates X -CT-NS-X 6 1.00 0.0 3. phosphoramidates OS-CT-CT-NS 1 0.14 0.0 -3. phosphoramidates OS-CT-CT-NS 1 0.00 0.0 2. phosphoramidate NS-P -OS-CT 1 0.25 0.0 -3. phosphoramidates NS-P -OS-CT 1 0.60 0.0 2. phosphoramidate CT-NS-P -OS 1 0.125 0.0 -3. CT-NS-P -OS 1 0.60 0.0 2. H -NS-P -OS 1 0.125 0.0 -3. H -NS-P -OS 1 0.60 0.0 2. IMPROPER CT-P -NS-H 0.00 180.0 2. don't need,N-sp3 NONB RE NS 1.8750 0.1700 OPLS END NS more like N3