[gmx-users] problem with mdrun performing replica exchange MD

OZGE ENGIN OZENGIN at KU.EDU.TR
Fri Nov 23 10:30:53 CET 2007


Hi All,

I am performing replica exchange molecular dynamics simulation(REMD). I have 16 replicas each of which has a peptide with different conformation. After obtaining .tpr files (at desired temperatures) for each replicas, I loaded them via mdrun, but I got the following error:

Fatal error:
Nothing to exchange with only one replica
-------------------------------------------

Why? 




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