[obasekia]

Good day all, in the final step of GaMD for production run, if we output the frequency of the coordinate file(crdout_period ) every 25 steps, will that not be too much if i want to run for example a 200ns simulation?

[ckobayashi]

Hello,

As written in the tutorial, the frequency of output  is determined to maintain accuracy of reweighing, but may be difficult to achieve in an actual case. That is a trade-off, so I can only say that you should adjust values to what you are comfortable with.

 

Kobayashi