Re: [AMBER] solvate with crystal water

From: Hashem Taha <htahaphd.gmail.com>
Date: Thu, 14 Apr 2011 15:12:13 -0400

There are TER cards placed in between unconnected residues. And, yes the
atom names are the same as for WAT. And the atom names for each of the
modified residues is also the same as those in the lib files. As for the
hydrogren atom names, those are read in correctly (I also tried removing
them and loading in the pdb without hydrogen, and this also loaded in
correctly).

On Thu, Apr 14, 2011 at 1:30 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:

> > How about showing the error msgs you receive? Do you have atom names
> > same as for WAT?
>
> Sorry, I later saw you had error msg below, but not sure if it was the same
> for each residue name. Atom name question still applies, also having TER
> cards
> between unconnected residues is important.
>
> Bill
>
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Received on Thu Apr 14 2011 - 12:30:04 PDT
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