How I can remove the prolines, I have 6 in the protein...
Em dom., 15 de dez. de 2019 às 03:10, David van der Spoel <
sp...@xray.bmc.uu.se> escreveu:
> Den 2019-12-15 kl. 04:13, skrev Mario Andres Rodriguez Pineda:
> > Hi all
> > I want to calculate the order parameter of the NH vector for each
Den 2019-12-15 kl. 04:13, skrev Mario Andres Rodriguez Pineda:
Hi all
I want to calculate the order parameter of the NH vector for each amino
acids of a protein in a gromacs trajectory for compare with NMR
experimental data.
I found that it can be calculated using rotacf to calculate the correl
Hi all
I want to calculate the order parameter of the NH vector for each amino
acids of a protein in a gromacs trajectory for compare with NMR
experimental data.
I found that it can be calculated using rotacf to calculate the correlation
time, when trying to run the program I get an error. In the