wordom -conv -imol mymolecule.pdb -omol mymolecule.crd
wordom -conv -imol mymolecule.pdb -sele "/A/@(20-100)/*" -omol mymolecule.crd
wordom -conv -itrj mytrj.dcd -imol mymolecule.pdb -otrj mytrj.xtc
wordom -conv -itrj mytrj.xtc -otrj mytrj.dcd
Showing posts with label gromacs. Show all posts
Showing posts with label gromacs. Show all posts
Friday, June 28, 2013
Trajectory file conversion using wordom
wordom -conv -imol mymolecule.pdb -omol mymolecule.crd
wordom -conv -imol mymolecule.pdb -sele "/A/@(20-100)/*" -omol mymolecule.crd
wordom -conv -itrj mytrj.dcd -imol mymolecule.pdb -otrj mytrj.xtc
wordom -conv -itrj mytrj.xtc -otrj mytrj.dcd
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