Hi all, Thanks for the response to Mr.Justin and Mr.Chris I calculated the sigma and epsilon values in the way Justin mentioned the values are ;name name charge mass charge ptype sigma epsilon LO LO 1 15.9994 0.000 A 0.295999914 0.878694594 ;carbonyl O, OPLS LOM LOM 1 15.9994 0.000 A 0.295999914 0.878694594 ;carboxyl O, OPLS LNL LNL 1 14.0067 0.000 A 3.35300e-03 3.95100e-06 ;Nitrogen, OPLS
Then in First step of procedure, suggested that add atom type H from opls_369 to match H expected by pope.itp In archives this type of problem posted for pope type of lipids opls_369 H 1 1.008 0.400 A 0.0000e+00 0.0000e+00 Im using POPC type of lipid I want to ask two things 1. How can modify H atom type in popc.itp file 2. Mr. Chris mentioned that Parameters require a double pairs section, how can I mention? Pls give me detail explanation all comments will be appreciated Thanks in advance
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