Dear List,
I have prepared a file using 20 peptides using packpol. I want the volume to
be 1000 nm^3 to achieve a certain concentration. I am bit confused, how do I
solvatebox using leap so that each side has 100 Ang.? When I use solvatebox
command, it gives me different dimensions because of vdw radii whereas
setBox doesn't solvate the box.
Your help is appreciated.
Regards,
Neha Gandhi,
School of Biomedical Sciences,
Curtin University of Technology,
GPO Box U1987 Perth,
Western Australia 6845
Phone: 9266 9061
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Received on Wed Sep 28 2011 - 00:00:02 PDT
