Hi,

I have a problem in mean square displacement analysis in Forcite module. I run two different MD-NPT run with different length, but with the same time steps. I combined these two trajectories with the script I found in this disscussion part of Accelrys Community, but when I try to evaluate the MSD, it gives me this error:

Mean square displacement analysis failed.

The time associated with the selected frames does not increase evenly with frame index.

But I run two MD-NPT run with the same time step. When the first MD-NPT run finished, I copy the last frame as .xsd file and by taking this file I continue the second MD-NPT run and later I combine these two trajectories. When the second run is performed, it takes the last frame of the trajectory of the first run. But later I delete the first frame of the second run (or delete the last frame of the first run) and again combine this two trajectory, but again forcite analysis failed and give me the same above error message.

Does anybody know how can I fixed this problem? I need a quick reply in order to continue my simulations, I stucked and could not go further. Thanks a lot.

Best wishes,

Sadiye