Dear Amber users,
I want to add an extra energy term on part of the system (only few
atoms) in Amber11.
I need to add extra force to f(*) in runmd.f .
But I'm don't know what was stored in f(*) exactly .
I tried to print out f(*) on each process.
It seems that only part of f(*) was right on each process.
( from id "istart3" to "iend3" )
I guess : f(*) calculted from each process wasn't summarized and brocast .
So only part information of f(*) on each process was useful, am i right ?
Any hint would be helpful.
Thanks in advance.
Sincerely
Chicago .Ji
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Received on Sat Oct 01 2011 - 11:30:02 PDT
