Hi CHARMM users!

Hope you have enjoyed your holiday! I have a question about the "MAXTimesteps" flag in CORREL. The documentation says "The MAXTimesteps value is the largest number of steps any
time series will contain." But I still don't understand whether it corresponds to the number of snapshorts or the MD steps in the trajectory. Say I have a trajectory with 1500000 MD steps. As the printing frequency is 500 MD steps thus I have 3000 snapshorts in total. But I don't know which value should be specified for "MAXTimesteps". I tried both and they gave the same outputs. Hope someone can help. Thanks in advance!


Zhi (Shane) Yue
Department of Chemistry
University of Chicago