Dear all,
I am having problem again to generate my average
structure using ptraj, this is my script:
trajin ../PfCo.md1.mdcrd
trajin ../PfCo.md2.mdcrd
trajin ../PfCo.md3.mdcrd
trajin ../PfCo.md4.mdcrd
trajin ../PfCo.md5.mdcrd
average PfCo_average.pdb pdb nowrap
i viewed my PfCo_average.pdb file in vmd, the
structure
is not correct, in the vmd console, it stated that
unusual bonding within certain residue to certain
residue...
then i try to convert my last rst file to pdb file n
view it, it is ok...meaning my simulation shouldn't
have any problem rite?
I try to generate average structure using single mdcrd
file, it gives me the same error too... Please give me
some suggestions.
Thank you very much..
Regards
xueping
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Received on Sat Apr 09 2005 - 09:53:00 PDT
