[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 
haven't yet.

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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