Re: [gmx-users] make_ndx: duplicates groups appearing in index.ndx file

2012-07-31 Thread Justin Lemkul
On 7/31/12 10:14 AM, Laura Kingsley wrote: Hello, I've just switched from using Gromacs version 4.0.5 to 4.5.5, and I'm having an issue with make_ndx. Using the old version I have a single group showing up for each "odd" residue, eg JJJ shows up once as group 16 for example. When I use the new

[gmx-users] make_ndx: duplicates groups appearing in index.ndx file

2012-07-31 Thread Laura Kingsley
Hello, I've just switched from using Gromacs version 4.0.5 to 4.5.5, and I'm having an issue with make_ndx. Using the old version I have a single group showing up for each "odd" residue, eg JJJ shows up once as group 16 for example. When I use the new version on the same file I get 2 groups a