Dear AMEBR users,
In Amber16, I tried to run a simulation with 3 nmropt restraints: two normal
distance restraints and one distance restraint to be used with the Jarzynski
Relationship (jar=1 in the mdin file). However, pmemd dies with:
jar option running
In Jarzynsky runs, there must only one restrain, stopping program
Can we expect an update where the above situation is possible? Maybe a flag
in the .RST file to indicate which restraint is to be used with the
Jarzynski Relationship?
Regards,
JM
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Received on Wed Jun 08 2016 - 04:00:03 PDT
