[gmx-users] inquiring for solving trjconv problems

Mehdi Bagherpour mbagherpour7749 at gmail.com
Tue Jan 22 03:14:24 CET 2013


Hello Justin

My problem is fixed
I am very grateful for your help.

I used from bellow commands:
*
*
*1- make_ndx -f md.tpr
*
*    >r 1-16  ----->DNA have 32 residue
2- trjconv -s md.tpr -f wi_md.xtc -n index.ndx -o md.pdb -center -pbc mol
*
*    2-1- for centering ---> residue 1-16 ---> new group
*
*    2-2- for pbc ----> DNA ----> group 1*

You have been a big help to me.
So Thanks



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