i was running sander on sp machine, before it cannot read the coordinates
file complaining end of file is reached... after i added two empty lines at
the end of the file, it can read. but i found it read the wrong numbers...
it's like
begin time read from input coords = 25.114 ps
which is supposed to be 0.000ps, and i tested that on a sgi machine... then
sander is like crashed, giving some extremely large number in the energy
terms, and have a fatal error... thanks very much... frank
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Received on Fri Jul 07 2000 - 08:59:31 PDT
