ctest and default UNRES_MD_FF
[unres.git] / ctest / dock_newcorr / cluster.inp
index 16392fe..d8f3c27 100644 (file)
@@ -1,6 +1,6 @@
 2wfu UNRES-Dock 
 nres=49 one_letter rescale=2 PRINT_CART PDBOUT=1 iopt=1 temper=280.0  ncut=0   &
- CONSTR_HOMOL=8 tormode=2 pdbref                                                     &
+ CONSTR_HOMOL=8 tormode=2 pdbref                                               &
 BOXX=78.90 BOXY=78.90 BOXZ=78.90
 WSC=0.81230 WSCP=1.20420 WELEC=0.87690 WBOND=1.00000 WANG=1.97730              &
 WSCLOC=0.063657 WTOR=1.41540 WTORD=0.00000 WCORRH=0.00000 WCORR5=0.00000       &