Hello,
I hope you are well! I am trying to activate a VMD window to reformat a
restart.rst file, would anyone share how to bring forth the VMD window from
the command line?
Thank you!
Karla
On Tue, May 22, 2018 at 5:32 PM, David A Case <david.case.rutgers.edu>
wrote:
> On Tue, May 22, 2018, Sadegh Faramarzi Ganjabad wrote:
> >
> > Thanks for replying. Those atoms are actually parts of a water molecule.
> > That's why I'm surprised, if AMBER allows an H-H bond why it gives that
> > error? Can't it be because in the original psf file those extra bonds
> > already exist?
>
> We need more information, as I mentioned earlier: how exactly did you
> convert CHARMM to Amber format, and what version of AmberTools are you
> using? (Problems with waters in earlier versions have been fixed.)
>
> ....dac
>
>
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>
--
Karla M. Galdamez, Ph.D
Research Fellow
Chemistry and Biochemistry Department
kmgaldam.ucsc.edu
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Received on Tue May 22 2018 - 21:00:01 PDT
