Project ID: plumID:20.034
Source: plumed_SL23.dat
Originally used with PLUMED version: 2.5.3
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr
RESTART MOLINFO STRUCTURE=SL_23_ext_gmx.pdb MOLTYPE=rna ermsd_full: ERMSD REFERENCE=SL_23_stem2_gmx.pdb ATOMS=@lcs-2,@lcs-3,@lcs-4,@lcs-5,@lcs-6,@lcs-7,@lcs-8,@lcs-9,@lcs-10,@lcs-11,@lcs-12,@lcs-13,@lcs-14,@lcs-15,@lcs-16 ermsd_sl2: ERMSD REFERENCE=SL_23_stem2_gmx.pdb ATOMS=@lcs-2,@lcs-3,@lcs-4,@lcs-5,@lcs-6,@lcs-7,@lcs-12,@lcs-13,@lcs-14,@lcs-15,@lcs-16 ermsd_sl2_target: ERMSD REFERENCE=SL_23_stem2_gmx.pdb ATOMS=@lcs-2,@lcs-3,@lcs-4,@lcs-5,@lcs-6,@lcs-12,@lcs-13,@lcs-14,@lcs-15,@lcs-16 CUTOFF=12 ermsd_sl3: ERMSD REFERENCE=SL_23_stem3_gmx.pdb ATOMS=@lcs-18,@lcs-19,@lcs-20,@lcs-21,@lcs-29,@lcs-30,@lcs-31,@lcs-32 ermsd_sl3_target: ERMSD REFERENCE=SL_23_stem3_gmx.pdb ATOMS=@lcs-18,@lcs-19,@lcs-20,@lcs-21,@lcs-29,@lcs-30,@lcs-31,@lcs-32 CUTOFF=12 c2: CENTER ATOMS=@lcs-2 c3: CENTER ATOMS=@lcs-3 c4: CENTER ATOMS=@lcs-4 c5: CENTER ATOMS=@lcs-5 c6: CENTER ATOMS=@lcs-6 c7: CENTER ATOMS=@lcs-7 c10: CENTER ATOMS=@lcs-10 c12: CENTER ATOMS=@lcs-12 c13: CENTER ATOMS=@lcs-13 c14: CENTER ATOMS=@lcs-14 c15: CENTER ATOMS=@lcs-15 c16: CENTER ATOMS=@lcs-16 c18: CENTER ATOMS=@lcs-2 c19: CENTER ATOMS=@lcs-3 c20: CENTER ATOMS=@lcs-4 c21: CENTER ATOMS=@lcs-5 c29: CENTER ATOMS=@lcs-12 c30: CENTER ATOMS=@lcs-13 c31: CENTER ATOMS=@lcs-14 c32: CENTER ATOMS=@lcs-15 d1: DISTANCE ATOMS=c2,c16 d2: DISTANCE ATOMS=c3,c15 d3: DISTANCE ATOMS=c4,c14 d4: DISTANCE ATOMS=c5,c13 d5: DISTANCE ATOMS=c6,c12 d6: DISTANCE ATOMS=c7,c10 d7: DISTANCE ATOMS=c18,c32 d8: DISTANCE ATOMS=c19,c31 d9: DISTANCE ATOMS=c20,c30 d10: DISTANCE ATOMS=c21,c29 ABMD ... ARG=ermsd_sl2_target,ermsd_sl3_target KAPPA=2,2 TO=1,1 LABEL=qq ... ABMD PRINT FILE=DIST_K_YY_XX ARG=ermsd_full,ermsd_sl2,ermsd_sl2_target,ermsd_sl3,ermsd_sl3_target STRIDE=5000 PRINT FILE=OT_K_YY_XX ARG=qq.bias,d1,d2,d3,d4,d5,d6,d7,d8,d9,d10 STRIDE=5000