[gmx-users] RE: g_msd and diffusion coefficent
vvchaban at gmail.com
Wed Jun 30 12:38:28 CEST 2010
> Dear Vitaly Chaban
> yes. my md simulation is equilibrioum.
> I did simulation of protein-dna. I want to know how protein and dna close
> together and interact together (approach of protein to major groove of dna).
> thanks alot in advance.
Please look towards g_rmsdist utility of the gromacs package. This
seems to be better for your needs than g_msd.
Dr. Vitaly Chaban
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