Dear Amber users,
I have a question about bugfix.18 of Amber12.
I have conducted NPT MD simulation in Amber12 with pmemd.cuda.
Recently, I found the problem that unexpected volume change occurs when restarting, which has been fixed completely by bugfix.18.
I wonder which part is corrected by bugfix.18 for this problem.
I know that one of the corrections in bugfix.18 applies for the file "pme_force.F90".
However, this bugfix is not enough to fix this problem.
Does anyone know what other modifications are related?
Sincerely yours,
Takato Sato
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Received on Mon Jun 17 2013 - 02:00:02 PDT
