[gmx-users] diffusion constant of protein.

[Anton Feenstra]

Coincon Mathieu wrote:

> Hi,
> I'm trying to calculate the Da of my protein with g_msd -mol ... -n
> ..     but it  I always get the coefficient for the water (~4e-5
> cm^2/s).
> I tried to make a "molecule"  index for my protein.

Make an index group for your protein, and use 'g_msd -n ...'.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
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|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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