Hello,
When performing TI, the dV/dL calculations are run during the simulations. Is there any way to perform the calculations after the simulations have been completed based on the trajectory and prmtop files? I'm interested in making a modification to the trajectories and performing the calculations again.
Thanks,
Drew
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Nov 08 2018 - 12:30:03 PST
