subject:"\[gmx\-users\] g_rotacf error"

Re: [gmx-users] g_rotacf error

2013-10-29 Thread Justin Lemkul

On 10/29/13 4:02 PM, Tiago Gomes wrote: Hello gromacs users, I´m currently tring to calculate S2 order parameters for comparison with nmr data and other simulations. When i try the command for the NH vector: g_rotacf -s ../protein.tpr -d -P 2 -n nh.ndx -f ../protein_fit.xtc -w -noaver It give

[gmx-users] g_rotacf error

2013-10-29 Thread Tiago Gomes

Hello gromacs users, I´m currently tring to calculate S2 order parameters for comparison with nmr data and other simulations. When i try the command for the NH vector: g_rotacf -s ../protein.tpr -d -P 2 -n nh.ndx -f ../protein_fit.xtc -w -noaver It gives me the only half of the residues (NH vecto