reference hydrox_wt_npt.rst
for i=1;i<9;i++
    trajin hydrox_wt_prod$i.nc 1 last 10
done
autoimage anchor :1-263
#rmsd BB :1-241@N,CA,C first mass out rmsd-proteinBB.dat
#hbond ZKNA out HB-zkna.dat dist 3.2 acceptormask :* donormask :244@N avgout HB-zkna-avg.dat
#hbond ZKNZ out HB-zknz.dat dist 3.2 acceptormask :* donormask :244@NZ avgout HB-zknz-avg.dat
#hbond ZKCO out HB-zkco.dat dist 3.2 acceptormask :244@O,OXT donormask :* avgout HB-zkco-avg.dat
#rmsd L1 :100-110@N,CA,C first mass out rmsd-L1.dat
#rmsd L2 :127-132@N,CA,C first mass out rmsd-L2.dat
#rmsd L3 :220-235@N,CA,C first mass out rmsd-L3.dat
#rmsd L4 :106-110@N,CA,C first mass out rmsd-L4.dat
#hbond E110-a out HB-E110-acc.dat dist 3.2 acceptormask :110@OE1,OE2 donormask :* avgout HB-E110-acc-avg.dat
#hbond D130-a out HB-D130-acc.dat dist 3.2 acceptormask :130@OD1,OD2 donormask :* avgout HB-D130-acc-avg.dat
#hbond D130-d out HB-D130-don.dat dist 3.2 acceptormask :* donormask :130@N avgout HB-D130-don-avg.dat
#hbond T211-a out HB-T211-acc.dat dist 3.2 acceptormask :211@OG1,O,N donormask :* avgout HB-T211-acc-avg.dat
#hbond T211-d out HB-T211-don.dat dist 3.2 acceptormask :* donormask :211@OG1,O,N avgout HB-T211-don-avg.dat
#hbond Cl out HB-Cl-acc.dat dist 3.2 acceptormask :242 donormask :* avgout HB-Cl-acc-avg.dat
#hbond aqua out HB-aqua=don.dat dist 3.2 acceptormask :* donormask :273 avgout HB-aqua-don-avg.dat
#hbond aqua-a out HB-aqua-acc.dat dist 3.2 acceptormask :273 donormask :* avgout HB-aqua-acc-avg.dat
#distance d110-130 :110@CA :130@CA out dist-110-130.dat 
#distance dFe-110 :245 :110@CA out dist-Fe-110.dat
#distance dFe-130 :245 :130@CA out dist-Fe-130.dat
#distance dED :110@CD :130@N out dist-130-110.dat 
#distance dFe-223-230 :245 :223-230@C,CA,N out dist-223-COM.dat
#distance dFe-106-110 :245 :106-110@C,CA,N out dist-106-COM.dat
trajout hydrox_wt_prod_compress.nc netcdf
#fixatomorder outprefix re 
