From: Brian Radak (bradak_at_anl.gov)
Date: Tue Mar 07 2017 - 17:02:27 CST
You still need a generate command for the bonds. You should have the
following in your script:
segment H2Y {
pdb xxxxx.pdb
auto angles dihedrals
}
coordpdb xxxx.pdb H2Y
guesscoord
On 03/07/2017 05:50 PM, Nehad Elsalamouny wrote:
> Hi Brian,
>
> Thanks for your email. Here you will find the rtf file attached. I
> thought the problem might be in the IC too. I rechecked them they are
> correct! Do you think it is something missing in psfgen script itself?
>
> kind regards,
>
> Nehad.
>
>
-- Brian Radak Postdoctoral Appointee Leadership Computing Facility Argonne National Laboratory 9700 South Cass Avenue, Bldg. 240 Argonne, IL 60439-4854 (630) 252-8643 brian.radak_at_anl.gov
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