[AMBER] spce water

From: Elisa Frezza <elisa.frezza.gmail.com>
Date: Wed, 10 Oct 2012 11:02:06 +0200

Dear All,

I would like to build a spc/e water box.

I have read the manual, but I am not sure that I did right.

I used this procedure:

1) loadamberparams frcmod.spce
2) WAT=SPC
3) solvatebox p WAT 12.0

Is it right?

Thank you in advance

Elisa

-- 
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 - 02:30:04 PDT