Thank you for this quick response and I was able to do that. Actually, even
I was surprised when my instructor first told me to do that. Now, I don't
know why I am doing this!!
On Wed, Aug 31, 2016 at 2:38 PM, David A Case <david.case.rutgers.edu>
wrote:
> On Wed, Aug 31, 2016, Adrian Roitberg wrote:
>
> > It is not clear to me WHY you want to do what you want to do, but
> > anyways, you need to do
> >
> > sed 's/HOH /TIP3P/g' filename
> >
> > Note space after HOH. That way you will replace a 4 character string
> > with a 4 character string and the rest should stay the same.
>
> Idea is OK, but actual character count is suspect :-)
>
> Note that the PDB format only allows three characters for the residue name
> (columns 18-20).
>
> ...dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 31 2016 - 15:00:02 PDT
