Merge branch 'master' of git@git.gromacs.org:gromacs
[gromacs/rigid-bodies.git] / share / top / defselection.dat
blob4180ac5840fed146c9002f1acb25dba9343e349c
1 protein = resname ABU ACE AIB ALA ARG ARGN ASN ASN1 ASP ASP1 ASPH
2 CYS CYS1 CYS2 CYSH DALA GLN GLU GLUH GLY
3 HIS HIS1 HISA HISB HISH HSD HSE HSP HYP ILE LEU
4 LYS LYSH MELEU MET MEVAL NAC NH2 PHE PHEH PHEU PHL
5 PRO SER THR TRP TRPH TRPU TYR TYRH TYRU VAL PGLU;
7 "Protein" protein;
8 "Protein-H" protein and not name "H*" "[0-9]?H.*";
9 "C-alpha" protein and name CA;
10 "Backbone" protein and name N CA C;
11 "MainChain" protein and name N CA C O O1 O2 OXT;
12 "MainChain+Cb" protein and name N CA CB C O O1 O2 OXT;
13 "MainChain+H" protein and name N CA C O O1 O2 OT OXT H1 H2 H3 H "[0-9]?H";
14 "SideChain" protein and not name N CA C O O1 O2 OT OXT H1 H2 H3 H "[0-9]?H";
15 "SideChain-H" protein and not name N CA C O O1 O2 OT OXT "H*" "[0-9]?H.*";
16 "Prot-Masses" protein and not name MN1 MN2 MCB1 MCB2 MCG1 MCG2 MCD1 MCD2 MCE1 MCE2 MNZ1 MNZ2;
17 "DNA" resname A T G C U;