Re: [AMBER] spce water

From: Elisa Frezza <elisa.frezza.gmail.com>
Date: Wed, 10 Oct 2012 13:40:51 +0200

thank you very much

ELisa

2012/10/10 David A Case <case.biomaps.rutgers.edu>

> On Wed, Oct 10, 2012, Elisa Frezza wrote:
> >
> > I would like to build a spc/e water box.
> > 1) loadamberparams frcmod.spce
> > 2) WAT=SPC
> > 3) solvatebox p WAT 12.0
>
> Change "WAT" in step 3 to "SPCBOX".
>
> ...dac
>
>
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-- 
Elisa Frezza
Ph.D. Student in Materials Science and Engineering
Dipartimento di Scienze Chimiche
Università di Padova
via Marzolo, 1
35131 Padova - Italy
Phone: +39 049 827 5149
Skype: elisa.frezza
Emai: elisa.frezza.gmail.com
         elisa.frezza.studenti.unipd.it
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Received on Wed Oct 10 2012 - 05:00:03 PDT
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