Re: [gmx-users] gmx complains of mismatch between index and trajectory file

2017-07-28 Thread Mark Abraham
Hi, Your xtc file has only the group you wrote, so it isn't valid to index into it with an index file that was made for a conformation with many other atoms. That's the mismatch the message mentions. For your xtc, "System" is the subset of *it* that you seem to want for your analysis. Note that

[gmx-users] gmx complains of mismatch between index and trajectory file

2017-07-27 Thread Jared Sagendorf
Hello, I'm using GROMACS 5.1.13 and ran into a problem I've never encountered before. I've run a simulation on a zinc-finger DNA complex and defined a group in my index filed called "Protein_DNA" from the default "Protein" and "DNA" groups. This group should contain 4666 atoms, which it does.