[gmx-users] Coordinates of structures from a .trr file

[Nabil Abid]

Helloyou use: 
gmxtrjcat -f your_1ns.xtc -b 199 -e 200 -o your_200ps.xtc

 

trjconv-f your_200ps.xtc -s your_protein.gro -o protein_200ps.pdb



regards

Nabil Abid, PhD Assistant professor Bioinformatic,Molecular Biology, Virology  High Institute of BiotechnologySidi Thabet  University ManoubaTunisia Tel:(+216)93541940   

 

 

    Le samedi 1 juin 2019 à 23:22:55 UTC+1, Neena Susan Eappen <neena.susaneappen at mail.utoronto.ca> a écrit :  
 
 Hello gromacs users,

How to extract coordinates (and thereby make a PDB file) for say structure at time 200 ps from a 1 ns production run?

Thank you,
Neena
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