[gmx-users] Re: Should I use continuation = yes in my production dynamics following equilibration?

[Justin A. Lemkul]

On 5/13/12 9:54 PM, Andrew DeYoung wrote:
> Hi Justin,
>
> Thanks so much!  :-)
>
> I checked, and I am using no constraints.  However, what if I were?  If I
> did have constraints, then what would you recommend for the continuation
> keyword?
>

Per the description in the manual, it should be set to "yes" in the case of 
constraints.

-Justin

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

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

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