On Thu, Mar 27, 2014, MOHD HOMAIDUR RAHMAN wrote:
>
> The wat_pack.pdb contain only repeating water molecule and "WAT" is residue
> name.`
>
> ATOM 1 O WAT A 1 9.649 18.830 4.849 1.00 0.00
> ATOM 2 H1 WAT A 1 10.382 19.458 4.852 1.00 0.00
> ATOM 3 H2 WAT A 1 9.994 18.025 4.443 1.00 0.00
> TER
>
OK...then experiment some. I'd particularly recommend not changing the
internal names in SPC:
> > > set SPC.1 name "SPC"
> >
> > Why did you do this? It might well have some undesirable side-effects;
> > waters are conventionally named WAT or HOH.
...good luck....dac
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Received on Thu Mar 27 2014 - 06:30:02 PDT
