Project ID: plumID:21.030
Source: npm/cn.dat
#! vim:ft=plumed # coordination r1: COM ATOMS=10,19 r2: COM ATOMS=35,44 r3: COM ATOMS=55,64 r4: COM ATOMS=75,84 r5: COM ATOMS=95,104 r6: COM ATOMS=115,124 r7: COM ATOMS=135,144 r8: COM ATOMS=155,164 r9: COM ATOMS=175,184 #CG-CH r10: COM ATOMS=195,204 r11: COM ATOMS=215,224 r12: COM ATOMS=234,243 #distances (12*11)/2 = 66 pairs? d1-2: DISTANCE ATOMS=r1,r2 d1-3: DISTANCE ATOMS=r1,r3 d1-4: DISTANCE ATOMS=r1,r4 d1-5: DISTANCE ATOMS=r1,r5 d1-6: DISTANCE ATOMS=r1,r6 d1-7: DISTANCE ATOMS=r1,r7 d1-8: DISTANCE ATOMS=r1,r8 d1-9: DISTANCE ATOMS=r1,r9 d1-10: DISTANCE ATOMS=r1,r10 d1-11: DISTANCE ATOMS=r1,r11 d1-12: DISTANCE ATOMS=r1,r12 d2-3: DISTANCE ATOMS=r2,r3 d2-4: DISTANCE ATOMS=r2,r4 d2-5: DISTANCE ATOMS=r2,r5 d2-6: DISTANCE ATOMS=r2,r6 d2-7: DISTANCE ATOMS=r2,r7 d2-8: DISTANCE ATOMS=r2,r8 d2-9: DISTANCE ATOMS=r2,r9 d2-10: DISTANCE ATOMS=r2,r10 d2-11: DISTANCE ATOMS=r2,r11 d2-12: DISTANCE ATOMS=r2,r12 d3-4: DISTANCE ATOMS=r3,r4 d3-5: DISTANCE ATOMS=r3,r5 d3-6: DISTANCE ATOMS=r3,r6 d3-7: DISTANCE ATOMS=r3,r7 d3-8: DISTANCE ATOMS=r3,r8 d3-9: DISTANCE ATOMS=r3,r9 d3-10: DISTANCE ATOMS=r3,r10 d3-11: DISTANCE ATOMS=r3,r11 d3-12: DISTANCE ATOMS=r3,r12 d4-5: DISTANCE ATOMS=r4,r5 d4-6: DISTANCE ATOMS=r4,r6 d4-7: DISTANCE ATOMS=r4,r7 d4-8: DISTANCE ATOMS=r4,r8 d4-9: DISTANCE ATOMS=r4,r9 d4-10: DISTANCE ATOMS=r4,r10 d4-11: DISTANCE ATOMS=r4,r11 d4-12: DISTANCE ATOMS=r4,r12 d5-6: DISTANCE ATOMS=r5,r6 d5-7: DISTANCE ATOMS=r5,r7 d5-8: DISTANCE ATOMS=r5,r8 d5-9: DISTANCE ATOMS=r5,r9 d5-10: DISTANCE ATOMS=r5,r10 d5-11: DISTANCE ATOMS=r5,r11 d5-12: DISTANCE ATOMS=r5,r12 d6-7: DISTANCE ATOMS=r6,r7 d6-8: DISTANCE ATOMS=r6,r8 d6-9: DISTANCE ATOMS=r6,r9 d6-10: DISTANCE ATOMS=r6,r10 d6-11: DISTANCE ATOMS=r6,r11 d6-12: DISTANCE ATOMS=r6,r12 d7-8: DISTANCE ATOMS=r7,r8 d7-9: DISTANCE ATOMS=r7,r9 d7-10: DISTANCE ATOMS=r7,r10 d7-11: DISTANCE ATOMS=r7,r11 d7-12: DISTANCE ATOMS=r7,r12 d8-9: DISTANCE ATOMS=r8,r9 d8-10: DISTANCE ATOMS=r8,r10 d8-11: DISTANCE ATOMS=r8,r11 d8-12: DISTANCE ATOMS=r8,r12 d9-10: DISTANCE ATOMS=r9,r10 d9-11: DISTANCE ATOMS=r9,r11 d9-12: DISTANCE ATOMS=r9,r12 d10-11: DISTANCE ATOMS=r10,r11 d10-12: DISTANCE ATOMS=r10,r12 d11-12: DISTANCE ATOMS=r11,r12 # coordination c: COORDINATION GROUPA=r1,r1,r1,r1,r1,r1,r1,r1,r1,r1,r1,r2,r2,r2,r2,r2,r2,r2,r2,r2,r2,r3,r3,r3,r3,r3,r3,r3,r3,r3,r4,r4,r4,r4,r4,r4,r4,r4,r5,r5,r5,r5,r5,r5,r5,r6,r6,r6,r6,r6,r6,r7,r7,r7,r7,r7,r8,r8,r8,r8,r9,r9,r9,r10,r10,r11 GROUPB=r2,r3,r4,r5,r6,r7,r8,r9,r10,r11,r12,r3,r4,r5,r6,r7,r8,r9,r10,r11,r12,r4,r5,r6,r7,r8,r9,r10,r11,r12,r5,r6,r7,r8,r9,r10,r11,r12,r6,r7,r8,r9,r10,r11,r12,r7,r8,r9,r10,r11,r12,r8,r9,r10,r11,r12,r9,r10,r11,r12,r10,r11,r12,r11,r12,r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 PAIR # each ring coord c1: COORDINATION GROUPA=r1 GROUPB=r2 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c2: COORDINATION GROUPA=r1 GROUPB=r3 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c3: COORDINATION GROUPA=r1 GROUPB=r4 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c4: COORDINATION GROUPA=r1 GROUPB=r5 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c5: COORDINATION GROUPA=r1 GROUPB=r6 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c6: COORDINATION GROUPA=r1 GROUPB=r7 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c7: COORDINATION GROUPA=r1 GROUPB=r8 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c8: COORDINATION GROUPA=r1 GROUPB=r9 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c9: COORDINATION GROUPA=r1 GROUPB=r10 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c10: COORDINATION GROUPA=r1 GROUPB=r11 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c11: COORDINATION GROUPA=r1 GROUPB=r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c12: COORDINATION GROUPA=r2 GROUPB=r3 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c13: COORDINATION GROUPA=r2 GROUPB=r4 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c14: COORDINATION GROUPA=r2 GROUPB=r5 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c15: COORDINATION GROUPA=r2 GROUPB=r6 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c16: COORDINATION GROUPA=r2 GROUPB=r7 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c17: COORDINATION GROUPA=r2 GROUPB=r8 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c18: COORDINATION GROUPA=r2 GROUPB=r9 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c19: COORDINATION GROUPA=r2 GROUPB=r10 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c20: COORDINATION GROUPA=r2 GROUPB=r11 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c21: COORDINATION GROUPA=r2 GROUPB=r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c22: COORDINATION GROUPA=r3 GROUPB=r4 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c23: COORDINATION GROUPA=r3 GROUPB=r5 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c24: COORDINATION GROUPA=r3 GROUPB=r6 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c25: COORDINATION GROUPA=r3 GROUPB=r7 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c26: COORDINATION GROUPA=r3 GROUPB=r8 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c27: COORDINATION GROUPA=r3 GROUPB=r9 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c28: COORDINATION GROUPA=r3 GROUPB=r10 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c29: COORDINATION GROUPA=r3 GROUPB=r11 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c30: COORDINATION GROUPA=r3 GROUPB=r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c31: COORDINATION GROUPA=r4 GROUPB=r5 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c32: COORDINATION GROUPA=r4 GROUPB=r6 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c33: COORDINATION GROUPA=r4 GROUPB=r7 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c34: COORDINATION GROUPA=r4 GROUPB=r8 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c35: COORDINATION GROUPA=r4 GROUPB=r9 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c36: COORDINATION GROUPA=r4 GROUPB=r10 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c37: COORDINATION GROUPA=r4 GROUPB=r11 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c38: COORDINATION GROUPA=r4 GROUPB=r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c39: COORDINATION GROUPA=r5 GROUPB=r6 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c40: COORDINATION GROUPA=r5 GROUPB=r7 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c41: COORDINATION GROUPA=r5 GROUPB=r8 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c42: COORDINATION GROUPA=r5 GROUPB=r9 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c43: COORDINATION GROUPA=r5 GROUPB=r10 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c44: COORDINATION GROUPA=r5 GROUPB=r11 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c45: COORDINATION GROUPA=r5 GROUPB=r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c46: COORDINATION GROUPA=r6 GROUPB=r7 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c47: COORDINATION GROUPA=r6 GROUPB=r8 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c48: COORDINATION GROUPA=r6 GROUPB=r9 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c49: COORDINATION GROUPA=r6 GROUPB=r10 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c50: COORDINATION GROUPA=r6 GROUPB=r11 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c51: COORDINATION GROUPA=r6 GROUPB=r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c52: COORDINATION GROUPA=r7 GROUPB=r8 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c53: COORDINATION GROUPA=r7 GROUPB=r9 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c54: COORDINATION GROUPA=r7 GROUPB=r10 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c55: COORDINATION GROUPA=r7 GROUPB=r11 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c56: COORDINATION GROUPA=r7 GROUPB=r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c57: COORDINATION GROUPA=r8 GROUPB=r9 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c58: COORDINATION GROUPA=r8 GROUPB=r10 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c59: COORDINATION GROUPA=r8 GROUPB=r11 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c60: COORDINATION GROUPA=r8 GROUPB=r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c61: COORDINATION GROUPA=r9 GROUPB=r10 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c62: COORDINATION GROUPA=r9 GROUPB=r11 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c63: COORDINATION GROUPA=r9 GROUPB=r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c64: COORDINATION GROUPA=r10 GROUPB=r11 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c65: COORDINATION GROUPA=r10 GROUPB=r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10 c66: COORDINATION GROUPA=r11 GROUPB=r12 R_0=0.5 NN=8 MM=12 NLIST NL_CUTOFF=0.75 NL_STRIDE=10