[gmx-users] links warnangles

[vferrario at units.it]

Thanks a lot!!!

Valerio


"Justin A. Lemkul" <jalemkul at vt.edu> ha scritto:

>
>
> Justin A. Lemkul wrote:
>
> <snip>
>
>> I've obtained a stable trajectory for a single CHCL3 molecule.  By  
>> setting "continuation = no" (so that constraints are not solved  
>> before step 0) in the em.mdp file, and then reducing nstlist to 5  
>> in md.mdp, I
>
> Ack, this should be "continuation = yes."  Sorry for the confusion.   
> I will copy from my .mdp file...I will copy from my .mdp file... :)
>
> -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
>
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