[gmx-users] Using umbrella sampling for more than one molecule in the Bilayer

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Thu Oct 12 11:17:59 CEST 2017


            Dear Experts, We know that gmx wham cannot be used for more than one penetrant for calculating PMF from umbrella sampling.Have you come across any publication or script to do umbrella sampling for multiple penetrants through the Bilayer.Please shareThanks YogiSent using Zoho Mail


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