[gmx-users] justin

Justin A. Lemkul jalemkul at vt.edu
Fri Jan 7 18:14:05 CET 2011



mustafa bilsel wrote:
> Justin,
> 
> Are you sure? I installed 4.5.3 and tried Methanol, MTH, MeOH.
> 
> Nothing changed. I suggest you to try it by yourself.

I did, and it works quite nicely.

> Don't try to remind people the help rules.
> JUST HELP OR DONOT HELP.
> 

I guess attempting to guide you to more effective posts and faster answers has 
somehow angered you.  Since you're offering me the choice, I choose not to.

-Justin

> mustafa
> 
> 
> This topology defines the [moleculetype] name as "Methanol," which is 
> the name
> that needs to be used in the [molecules] directive below.  But then, 
> too, you're
> not using the same residue name either (MTH instead of MeOH), so it is 
> still not
> possible to say what's going wrong.
> 
> -Justin
> 

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



More information about the gromacs.org_gmx-users mailing list