X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=PARAM%2Fpot_tor_G631_DIL_ext.parm;h=d10cef30519a651171793d8b2c8a6f358d0bffa3;hb=c0a4a15c2b7ebf9769cac1c1bf5c5b761a130361;hp=946011dc6372c8af52494863d4bd4eaff880f19d;hpb=35f220f409bd5d21be33a402d79da2c23d3e0c3a;p=unres4.git diff --git a/PARAM/pot_tor_G631_DIL_ext.parm b/PARAM/pot_tor_G631_DIL_ext.parm index 946011d..d10cef3 100644 --- a/PARAM/pot_tor_G631_DIL_ext.parm +++ b/PARAM/pot_tor_G631_DIL_ext.parm @@ -1,5 +1,5 @@ 3 *** Parameters derived by integrating MP2/6-31G** local energy surfaces *** -1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1 +1 1 1 1 1 1 1 1 1 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1 1 1 1 6 0 ** Gly-D-Pro-reg 1 -1.02141E+00 -1.21787E+00 2 2.66194E-03 1.01052E-02