[gmx-users] further discussion on the mdrun -append function

Acoot Brett acootbrett at yahoo.com
Fri Apr 6 05:41:14 CEST 2012


 
Dear All,
 
Frim mdrun -h, I got the following message:
 
 
-[no]append  bool   yes     Append to previous output files when continuing from checkpoint instead of adding the simulation art number to all file names
 
 
Thus there is the possibility that the series xvg curves can never starts from 0 ns. Do you agree,
 
Cheers,
 
Acoot
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