X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=PARAM%2Fpot_tor_G631_DIL_ext.parm;h=946011dc6372c8af52494863d4bd4eaff880f19d;hb=5054187b907c191b7b9fe4a38fcf74be98b7649b;hp=54577a7643e4ac2dcf0ffd45ef210bae9e1f7af0;hpb=c734f7a626db5ffe279e53c9a4a1c92dbb120f46;p=unres.git diff --git a/PARAM/pot_tor_G631_DIL_ext.parm b/PARAM/pot_tor_G631_DIL_ext.parm index 54577a7..946011d 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 0 1 1 1 1 1 1 1 1 1 2 1 1 0 1 6 0 ** Gly-D-Pro-reg 1 -1.02141E+00 -1.21787E+00 2 2.66194E-03 1.01052E-02