[gmx-users] how to turn off mass weighted MSD in g_msd?

[Anton Feenstra]

Vincent Ballenegger wrote:
> Dear gmx-users,
> 
> By default, g_msd performs a mass weighted MSD (option -mw set to true).
> How do I set it to false?
> 
> I tried
>  g_msd -mw false
> but this leads to the error "argument false unknown".

if you type g_msd -h, you will see (amongst other things):

      -[no]mw   bool    yes  Mass weighted MSD

with which we have tried to indicate that you can say '-mw' to turn
mass weighing *on*, and -nomw to turn it *off* (this is common to
all 'switch' options). So

g_msd -nomw

will work.


-- 
Groetjes,

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