[gmx-users] about gromacs

David van der Spoel spoel at xray.bmc.uu.se
Thu Sep 7 08:59:56 CEST 2006

代振宇 wrote:
> Hello, everyone:
>     Would you please tell me that whether Gromacs can be used to do Molecular Dynamics studies for Polymer like PVC or PET? Thanks a lot.

yes if you provide the input files. gromacs does not have many tools to 
deal with preparing input files for such systems, but have a look at genbox.

>     dai0601
>     2006-09-07
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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
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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