[gmx-users] use of -dt

Mark Abraham Mark.Abraham at anu.edu.au
Tue May 1 02:10:14 CEST 2007


bmmothan at ucalgary.ca wrote:
> Hi,
> 
> I know this should be trivial..but i cant understand what this option do:
> 
> -dt    Only write frame when t MOD dt = first time (ps)
> 
> would some explain what is MOD and how this is relevent to g_cluster or
> trjconv.

MOD is the modulo operator, which returns the remainder after integer 
division. Actually I think the above text should be "when t MOD dt = 
first time MOD dt". Anyway the idea is to reduce the frequency with 
which data frames are taken for further processing. This can be a good 
idea for various applications, because frames close in time are 
correlated with each other.

Mark



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