[gmx-users] Problem with MD simulation
mariuszmw at gumed.edu.pl
Wed Apr 19 12:45:10 CEST 2017
Hi, I am not sure if this is a problem. I performed md run for a protein(pdb
code 1rep) and I am wondering when i convert file from last ns with gmx
editconf -f md25.gro -o md25.pdb and look at the pdb, the ds DNA seems
divied, splitted there is one half with the protein and the second one
bellow. Is this normal or is it wrong ? Where could I have made a mistake,
the RMSD chart for this protein after simulations looks good.
Thanks for all suggestions.
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