[gmx-users] Analysing of the trajectory using editconf

James Starlight jmsstarlight at gmail.com
Tue Jan 29 07:28:01 CET 2013


Dear Gromac's users!


I have long trajectory with small intervals between individual
time-steps. Using editconf I'd like:

1- To extract last frame in pdb from my trajectory
(e.g for extraction of the first frame I'm using but its not working
with -dump -1 )

2- To convert my trajectory into xtc with larger time interval
beetween snapshots. E.g on the initial trajectory I wrote snapshots
with nstxout     = 1000 but I'd like to obtain output trajectory with
nstxout     = 3000. How It could be done?


Thanks for help,

James



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