[gmx-users] ***using output of dl_poly in gromacs??***
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jun 26 08:40:16 CEST 2013
On 2013-06-25 21:52, hamid mosaddeghi wrote:
> Dear all
> I did some bio simulation by dl_poly ,is it possible use gromacs for analysis data?
> Best Of Luck
sure,if you can output the sim as e.g. a pdb file with multiple
frames/models. Some analysis tools need a gromacs topology file which is
easy to make for proteins/nucleic acids. Run a gromacs tutorial if you
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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