Hi,
It would be easier to help if I knew:
1) The version of cpptraj you are using.
2) The exact input you are giving cpptraj
3) The exact output you are getting (including the error messages)
Bonus points for sending me off-list a topology and restart I can use
to reproduce the issue :-)
-Dan
On Wed, Mar 25, 2020 at 2:47 PM Kenneth Huang
<kennethneltharion.gmail.com> wrote:
>
> Hi all,
>
> Has anyone had any luck in using nastruct to look at modified base pairs
> with missing heavy atoms, ie inosine or 2-aminopurine? I've tried using the
> resmap function, but it keeps throwing up a missing atom error flag.
>
> Best,
>
> Kenneth
>
> --
> Ask yourselves, all of you, what power would hell have if those imprisoned
> here could not dream of heaven?
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Received on Wed Mar 25 2020 - 13:00:03 PDT
