Dear Amber users,
I ran CpHMD silmuations in explicit solvent and pH replica exchange. Due to
the waltime, I ran them splitting the simulations in two parts. So now I
have trajectory files named
traj.ph{X}.nc
traj.phBIS{X}.nc
where X spans from 01 to 12.
I want to merge the two parts and then rebuild the trajectory file (i.e the
snapshots) for each pH value. I made a few attempts with cpptraj, but I
didn't get results. Do you know how to solve this?
Thank you,
Elisa
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Apr 25 2016 - 03:00:03 PDT
