Dear all; I am wondering if we can use both disre and POSRES in .mdp file together? To be more perspective, is it correct to add all these below in the *.mdp file? .......................................... define = -DPOSRES disre = simple disre-weighting = equal disre-mixed = no disre-fc = 1000 disre-tau = 0 .........................................
Thank you for your time B.Mehrazma
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