On Thu, Mar 25, 2010 at 9:49 PM, 程迪 <[email protected]> wrote:
> Hi, everyone > > I have two simulations which could run well separately. Now I want to place > the box of simulation A onto the box of simulation B. What should I do to > realise that? > > I've tried to copy and paste the .gro and .top file together, but there are > several mistakes in grompp. I wonder if there are some better method to > merge 2 simulation boxes. > copying straight forward will not help, you have to move the atoms of one of the box by the box vectors of the other box. Does this make sense ? > > Di Cheng > > University of Science and Technology of China > Hefei, Anhui Province 230026 > P. R. China > E-mail: [email protected] > Tel.: +86-15321055911 > > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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