Hi Elaine,<br> As per your guidance, I am now able to calculate SASA for the trajectories of AMBER MD simulation of my protein. But I have 1200 frames and I need to calculate SASA for each and every frame. As u told, I can calculate by fixing each frame. But it seems to be very time taking and not favorable. Is there any way so that I can calculate SASA as an average among all the frames or most favorable would be to get SASA for all 1200 frames automatically rather going for individual ones.<br>
If you have any such script/relevant idea , kindly help me in this regard.<br><br>Thanking you.<br>Aditya.<br>