[gmx-developers] How to get some data from t_state (data structure)?
wangykoo at gmail.com
Wed Mar 16 09:06:31 CET 2011
T_state contains almost all of the non-static state of the system
including position, velocity and charge group data for the home atoms.
Before running I defined a new group which includes all the atoms
interested by command make_ndx and grompp, for some purpose I need to know
this new group's dynamical information, for examples every atom's position.
I know these information must be in the t_state structure, however, I
just don't konw how to get them out by self-defined group. Do you have any
ideas? Thank you very much!
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