Hi Amber users
I would like to inspect snapsho trajectories at given time when computing the
radial density distributions with ptraj but my script that I atach to this email
gives my tons of .pdb files, is there please a smarter way to get just few at
specific timestep?
Thanks for your help!
trajin G4_bond_wat_md1_exp.mdcrd
trajin G4_bond_wat_md2_exp.mdcrd
trajin G4_bond_wat_md3_exp.mdcrd
radial G4_bond_wat_rad_dens_wat_58_121_H19.rdf 0.5 40.0 :WAT.O :58-121.H19
closest density 0.033456
trajout traj.pdb 1 pdb
go
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Received on Wed Aug 11 2010 - 16:00:04 PDT
