[AMBER] Can't restart a RXSGLD run (possible bug)

From: Charo del Genio <the.paraw.gmail.com>
Date: Sun, 31 Jan 2021 10:13:41 +0000

Dear all,
        continuing the adventures in carrying out a RXSGLD, I'm having difficulties restarting the run. Specifically, when trying to restart the simulation, it dies at the very beginning, and the output
files contain the message

  No guiding effect on the first replica!
    tempsg, sgft=: 1.0000000000000000 1.0000000000000000

Needless to say, in the mdin files, tempsg and sgft for each replica are unchanged from the first run. I have tried to figure out the origin of the problem, but I have thus far failed.
Does anyone have any idea of why I am getting into this problem?



Dr. Charo I. del Genio
Senior Lecturer in Statistical Physics
Applied Mathematics Research Centre (AMRC)
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Received on Sun Jan 31 2021 - 02:30:02 PST
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