[gmx-users] g_covar question

[Ruben Martinez Buey]

Hi all,
Only a short question for g_covar:
In a Combined Essential dynamics analysis (ED on a trajectory from two
concatenated trajectories), should I use the deviation from the conformation in
the structure file instead of from the average?
Thanks in advance for your kind attention,
with best wishes,
Ruben

___________________________________________

Rubén Martínez-Buey. PhD student
Protein Function and Structure Dept. Lab. 352
Centro de Investigaciones Biológicas (CIB-CSIC)
C/ Velázquez, 144,  28006  MADRID (SPAIN)
Tlf: +34-91-561 18 00 ext. 4380
Fax: +34-91-562 75 18