Hello Santanu,
maybe I didnīt understand correctly what do you mean with "suggestions". What I can write is, after opening xleap, you load the frcmod-, lib- and mol2- files of your system. Then you make a unit ("XX" = copy yyy.mol2; edit "XX") and then you solvate your system
solvatebox XX MEOHBOX (buffer) . In the Antechamber User Manual you can find more about buffer/closeness.
saveamberparm XX XX.prmtop XX.inpcrd.
I hope it can help a bit.
Regards
Rita
-------- Original-Nachricht --------
> Datum: Tue, 11 Mar 2008 10:23:40 +0100
> Von: "san_amber roy" <sanamber.gmail.com>
> An: amber.scripps.edu
> Betreff: AMBER: solvate with methanol
> Dear amber users,
> I am using amber8 and I want to
> solvate one model system with methanol solvatebox. Can you give some
> suggestions regarding this?
>
> Thanks in advance,
> Santanu
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Received on Wed Mar 12 2008 - 06:07:40 PDT
