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Re: WSN: Cartesian Coordinates For Water-Dimer (fwd)
Sender: Ashwin Dinakar<ashy@rose.chem.wesleyan.edu>
Subject: Re: WSN: Cartesian Coordinates For Water-Dimer
Hello Netters,
Sorry for the delay in thanking each one of you for giving
me the references for the cartesian coordinates of water-dimer. I am
grateful for all the help rendered.
I was wondering whether I could extend the question. If I
wished to obtain the coordinates for a box of N water molecules for doing
an MD or MC calculation what is the best way to go about obtaining them ?
Is there any public-domain code that I can look at which would give me a
box of water-molecules ?
Thanks in advance,
Ashwin Dinakar,
Dept. Of Chemistry,
Wesleyan University.