How can I correct the degrees of freedom for any constraints? I used all
the whole trajectory to calculate Cp for the entire system, with the
original .edr files and using .edr files calculated using gmx energy and
notice the difference mentioned before.
I notice that for the same frame, the bond
Den 2018-02-03 kl. 09:13, skrev Malvika K:
How can I correct the degrees of freedom for any constraints? I used all
the whole trajectory to calculate Cp for the entire system, with the
original .edr files and using .edr files calculated using gmx energy and
notice the difference mentioned
Dear gromacs users
I done simulations of peptide of 20 residues length for 300ns. As I would
like to explore the conformational flexibility I have chosen to do dPCA. I
have gone through the tutorial which is present in the gromacs cite.
Firstly, I have created the index file which shows the
