[gmx-developers] Re: Pull code and virial

Justin MacCallum jlmaccal at ucalgary.ca
Mon Feb 28 19:11:52 CET 2005

> I guess the best way to fix this would be to calculate the pull virial
> (also for constraint pulling)
> in the pull code, store it in the forcerec and add it in calc_virial,
> just as is done
> for the grid part of the electrostatics virial.

That sounds very reasonable to me. I'll leave it to you though as I am 
not at all familiar with code that does the virial calculations in 


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