X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=PARAM%2Fbond_ext.parm;fp=PARAM%2Fbond_ext.parm;h=26dd816e393ddef20a98d6e3e387c134ba720cf2;hb=5b0e27e99ac1e61b8b155f3cc6351fac58c391ca;hp=0000000000000000000000000000000000000000;hpb=664d495e70d14eed4e97f7b8efd2e107dee2fd4e;p=unres.git diff --git a/PARAM/bond_ext.parm b/PARAM/bond_ext.parm new file mode 100644 index 0000000..26dd816 --- /dev/null +++ b/PARAM/bond_ext.parm @@ -0,0 +1,25 @@ +3.800 500.00 43.0 14.33 5.0 ! peptide group +1.237 500.00 59.0 19.67 5.0 ! Cys +2.142 500.00 88.0 29.33 6.2 ! Met +2.299 500.00 104.0 34.67 6.8 ! Phe +1.776 500.00 70.0 23.33 6.2 ! Ile +1.939 500.00 70.0 23.33 6.3 ! Leu +1.410 500.00 56.0 18.67 5.8 ! Val +2.605 500.00 143.0 47.67 7.2 ! Trp +2.484 500.00 120.0 40.00 6.9 ! Tyr +0.743 500.00 28.0 9.33 4.6 ! Ala +0.000 500.00 14.0 0.00 3.8 ! Gly +1.393 500.00 58.0 19.33 5.6 ! Thr +1.150 500.00 44.0 14.67 4.8 ! Ser +2.240 500.00 85.0 28.33 6.1 ! Glu +1.684 500.00 71.0 23.67 5.7 ! Asn +2.254 500.00 85.0 28.33 6.1 ! Glu +1.709 500.00 71.0 23.67 5.6 ! Asp +2.113 500.00 95.0 31.67 6.2 ! His +3.020 500.00 114.0 38.00 6.8 ! Arg +2.541 500.00 86.0 28.67 6.3 ! Lys +1.345 500.00 71.0 23.67 5.6 ! Pro +2.142 500.00 135.0 45.00 6.2 ! SeMet +3.799 500.00 149.0 49.67 7.2 ! Dap(Bz) +0.743 500.00 42.0 14.00 4.7 ! Aib +1.210 500.00 42.0 14.00 5.6 ! Abu