Hi Hoshin Kim,
Instead of using ":", you can try with ".", which will take the atom
number. If you have more number of solvent you can use the range of
numbers.
For Example, ".1-100" (Please refer Amber Tool Manual - page 104 under mask)
Hope this will help you.
Cheers
Fredrick.
Quoting Hoshin Kim <85hskim.gmail.com>:
> Dear all,
>
> I'm trying to analyze RDF using PTRAJ. my solvent consists of two
> components. one is cation another is anion.
> I'd like to select only cation and anion using ":"mark like :WAT. But their
> residues name is the number (cation is 111, anion is 222). So when I select
> cation or anion using ":", they read it as residue number 111 and 222. How
> can I do that?
> (The number of solvent is too much to select manually. )
>
> Thanks in advance.
>
> Regards,
>
> Hoshin Kim.
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Received on Wed Sep 01 2010 - 00:00:04 PDT
