Re: [AMBER] addition of hydrogen to unionised the -COO group

From: David A Case <david.case.rutgers.edu>
Date: Sat, 11 Jun 2016 12:53:04 -0400

On Fri, Jun 10, 2016, Martina Devi wrote:
>
> I am trying to add hydrogen to the -COO group non-standard residue through
> xleap graphical interface. But the addition is not successful.

You need to provide information about exactly what you did, and when led
you conclude that the addition was not successful. Creating force field
libraries for non-standard residues can be a bit involved: see Tutorial
B5 for an example.

....dac


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Received on Sat Jun 11 2016 - 10:00:03 PDT
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