Dear Amber Users:
I am trying to run a replica exchange simulation. I have some doubts in how to
setup the system. First, the initial structure for each replica is the same
or different conformations??? If different conformetions are needed, how to
obtain those conformations. Second, the initial structure for the replicas
need to be at the temp0 specified in the mdin? or all replicas start for the
same temperature (tempi=0.0 temp0=temp) of the replica?. Third and last, How
to select the temperatures for the replicas?? any method???.
I really appreciate any help.
Best regards,
Anthony
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Received on Fri Aug 26 2005 - 16:53:03 PDT
