[gmx-users] g_x2top is missing bonds
David van der Spoel
spoel at xray.bmc.uu.se
Thu Jan 31 23:07:12 CET 2013
On 2013-01-31 22:55, FX wrote:
> Hey Matt,
> (It's a small world, eh?)
> I don't have a particular reason to use Gromacs. I used it for small ions solvation ten years back, I liked it, but every time I have tried to use it since for crystalline systems, I was put off because, as you say, it's probably not what it's designed for.
> In that particular case, I set out to use Gromacs because I'm working to reproduce a published paper that used Gromacs.
> Anyway, I'm interested in this new thread development (and suggestions as to alternatives more suited to my system), but also in suggestions regarding my original question :)
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try acpype iso g_x2top (this comes straight from the developer).
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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