How can I upgrade a lipid topology from GROMOS43A1 to GROMOS53A6?

04 April 2018 0 2K Report

Hi,

I am using MemBuilder II to build a mixed POPC:POPG membrane containing cholesterol. As you know, in MemBuilder, cholesterol is only supported for Gromos43a1. Previously, I did my simulation using Tieleman's DPPC lipid and protein in Gromos53a6 and mixing two forcefields in a study is unscientific (probably). Is there any way so that I can use the MemBuilder II membrane models with Gromos53a6?

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