When one Performs MD simulations using NAMD. It generates restart files coordinates (.coor), velocity (.vel) and xsc (.xsc) files. It also generates restart files with extension .old. My question is all about finding the exact difference between these restart files and restart.old files. Why .old files are generated during simulation process?
You have run the program 2 times. First time it will save as XXX.coor second time it will save as XXX.coor.old and the second run will replace the first XXX.coor
As others mentioned, the *.old is in case of system crash and is their notation for the backup of the restart.
Can you help me someone? For 50 ns MD simulation I make a change in step=25000000, dcd.freq= 250000,. Can I change in my xst.freq, restart.freq and outputEnergy 50 to higher value?//
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