K.F. Austen wrote:
Hi,
Thank you for the suggestion. The difficulty is that I want to have a
box with a higher than average density, and gromacs seems to have
problems with this. I have tried the genbox -cs -o water.pdb -box <x>
<y> <z> command and have tried -nmol and -maxsol, but i can't get it to
give me a dense enough water box. Does anyone have a suggestion for
getting around this? I want to have a density of one molecule per 28
Angs^3.
Thanks,
Kat
Do a simulation at high pressure.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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