[gmx-users] bonds across boundaries
David van der Spoel
spoel at xray.bmc.uu.se
Fri Oct 25 00:41:49 CEST 2002
On Fri, 2002-10-25 at 17:14, Pawel Sikorski wrote:
> Hi,
> Does anyone knows if it is possible to have chemical bonds across the
> boundaries in gmx - for example a infinitively long polymer chain (the
> end is bonded to the image of the beginning). This is possible in some
> commercial software packages (Discover3, Cerius3) and in DL_poly.
this was discussed one or two days ago. check the archives. yes is the
answer.
>
> Thanks for help.
> Pawel
>
>
>
>
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--
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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