[gmx-users] total time for MDsimulation
shailza_iitd at yahoo.com
Wed Feb 23 13:51:29 CET 2005
i want to know that what is the total time taken for
simulation of a protein if a protein is run with
position restrained dynamics with 0.5 ns and without
position restrained for 1.0 ns?
Is the total time accounted will be 1.0 ns only taking
into account the full MD run or 1.5 ns taking into
account both short and full MD run?
Also, I would like to clear about my doubt for full MD
run?Should it be run for a longer period of time than
short MD run or we can set the same number of steps as
that of position restrained dynamics..only barring
Any help would be greatly appreciated.
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