[gmx-users] make_ndx selection of backbone residues
라지브간디
rajiv at kaist.ac.kr
Fri Feb 13 06:15:40 CET 2015
Hi gmx,
I would like to know how do I choose the particular residues backbone? Here I intent to select the only specific residues backbone as following way but i guess i am end up with selecting the protein all atoms in residues.
" 4 & r 8-226 | r 242-308 | r 320-410 | r 414-502 | r 521-862 | r 873-1058 | r 1069-1345 " (I used this)
0 System : 226391 atoms 1 Protein : 14249 atoms 2 Protein-H : 11094 atoms 3 C-alpha : 1347 atoms 4 Backbone : 4041 atoms 5 MainChain : 5390 atoms 6 MainChain+Cb : 6677 atoms 7 MainChain+H : 6686 atoms 8 SideChain : 7563 atoms 9 SideChain-H : 5704 atoms 10 Prot-Masses : 14249 atoms 11 non-Protein : 212142 atoms 12 Other : 36 atoms 13 LIG : 36 atoms 14 Water : 212106 atoms 15 SOL : 212106 atoms 16 non-Water : 14285 atoms 17 Backbone_&_r_8-226_r_242-308_r_320-410_r_414-502_r_521-862_r_873-1058_r_1069-1345: 12493 atoms
I suppose to get the backbone selection residues less than backbone (4041 atoms) but it comes 12493 which is close to protein all atoms as i believe i selected the protein all atoms? If so, how do I only select those residues backbone atoms?
Appreciated for your info. Thanks
More information about the gromacs.org_gmx-users
mailing list