[gmx-users] confusion regarding tpbconv

Anamika Awasthi aawasthi28 at gmail.com
Mon May 12 11:40:32 CEST 2008


Dear Friends,
        If my simulation crashed because of power failure, then as I know
there are two option to restart the Job.
         One is GROMPP and another is 'tpbconv', in 'grompp' we have to do
some changes in md.mdp, but 'tpbconv' takes everything automatically,
tpbconv needs only .trr and .edr and it takes previous simulation's frame as
initial frame for restart and generate new .tpr file.
      This .tpr we should use for md rerun.
         I just want to ask, whether my this concept is correct or not. If I
am not correct please help me to correct this.

 Thanks in advance
      Anamika
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