Hi Ahmet,
Have you looked at the trajectories? Is the molecule really whole/centered?
Cheers,
Tsjerk
T
On Wed, Aug 19, 2015 at 3:32 PM, Ahmet Yıldırım ahmedo...@gmail.com wrote:
Dear users,
I am trying to get the conformational entropy of some structures but the
results I got are
Dear users,
I am trying to get the conformational entropy of some structures but the
results I got are strange. I tried two methods. I removed jumps from
trajectory and centered the protein in box (1). I used the raw trajectory
(2). GROMACS gives different results for each processes. Which
