A pipeline developed during my internship at the Structural Bioinformatics Group at Sapienza University of Rome.
Per strippare una traiettoria dall'acqua e da eventuali idrogeni:
gmx trjconv -f md_0_1_noPBC.xtc -s md_0_1.tpr -o lysozyme_Protein.xtc
Per convertire un xtc in dcd:
pip install mdtraj
mdconvert -o lysozyme_Protein.dcd lysozyme_Protein.xtc
Work in progress...