[gmx-users] -fitall option problems

Tsjerk Wassenaar tsjerkw at gmail.com
Tue Jan 24 17:46:30 CET 2012

Oh, Justin's right. So I was wrong in my first mail, as well as in my
mental picture... So fitting all to all is default... Terribly sorry :$


On Jan 24, 2012 12:05 PM, "Justin A. Lemkul" <jalemkul at vt.edu> wrote:

Víctor wrote: > > I've having some problems with use of the option
'-fitall'. > > The command I'm ...
The -fitall option is set to 'yes' by default, so invoking it explicitly
makes no difference.

> Furthermore, the rmsd.xpm file represents a non-symetric matrix, which is
not what I expected......
I can't explain this.  Perhaps someone else can offer insight.


> Thanks in advance, > Víctor > > -- > > Víctor Gil Sepúlveda > E.
Informatica - FIB - UPC >

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080

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