Re: [gmx-users] make_ndx select atoms from different residues

2012-01-31 Thread Mark Abraham
On 1/02/2012 5:02 AM, Zhuyi Xue wrote: Hi, there I would like to select, for example, CA of GLY, CB of PRO, so I typed r GLY& a CA | r PRO& a CB, but it doesn't work. make_ndx also doesn't support parenthesis, either. Previously, I used "r GLY& a CA" (save as group 1), then "r PRO& a CB"

[gmx-users] make_ndx select atoms from different residues

2012-01-31 Thread Zhuyi Xue
Hi, there I would like to select, for example, CA of GLY, CB of PRO, so I typed r GLY& a CA | r PRO& a CB, but it doesn't work. make_ndx also doesn't support parenthesis, either. Previously, I used "r GLY& a CA" (save as group 1), then "r PRO& a CB" (save as group 2), then "1|2", and final