tsjerkw at gmail.com
Sat Nov 8 08:56:56 CET 2008
The boolean options to the gromacs programs are (usually) set using
(e.g.) -mw | -nomw
On Sat, Nov 8, 2008 at 5:00 AM, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
> Tatsiana Kirys wrote:
>> i got strange results using g_rms.
>> Does it by default uses mass weighting for superposition? I wrote my own
>> script to calculate rmsd without mass weighting and it gives different
>> results then using g_rms. If it uses mass weighting for superposition how
>> not not use it? i tried select "-mw no", but it doesn't work.
> As always, g_rms -h explains some relevant issues here.
> Also, "it doesn't work" is also a useless description for helping us help
> you. :-)
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Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
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