Hi,
i'm using this ptraj input file to get an average structure over a period of simulation, some of the residues of my protein looks sewn together
trajin Equil.mdcrd
trajin Equil2.mdcrd
trajin Equil3.mdcrd
trajin Equil4.mdcrd
trajin Md.mdcrd
average W_Eq.pdb pdb nowrap
ptraj ddd.prmtop < ptraj.in
but if I create a pdb file from the .rst file, individually e.g below, it looks just fine
ambpdb -p ddd.prmtop < Md.rst > Md.pdb
Just want to check if this happens sometimes!
Thanks
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Received on Mon Jul 27 2009 - 10:09:36 PDT
